CELL DIMENSIONS FOR PLAIN A-DNA'S -------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord -------------------------------------------------------------------------------- AD0001 5'-D(*GP*AP*CP*CP*GP*CP*GP*GP*TP*C)-3' P 61 2 2 Y 38.44 38.44 80.17 90.00 90.00 120.00 AD0002 5'-D(*GP*GP*GP*GP*CP*GP*CP*CP*CP*C)-3' P 21 Y 45.50 46.08 28.46 90.00 100.74 90.00 AD0003 5'-D(*AP*GP*GP*GP*GP*CP*CP*CP*CP*T)-3' P 21 21 21 Y 24.69 45.00 46.77 90.00 90.00 90.00 AD0004 5'-D(*AP*GP*GP*GP*GP*CP*CP*CP*CP*T)-3' P 61 2 2 Y 32.77 32.77 77.75 90.00 90.00 120.00 AD0005 5'-D(P*GP*AP*CP*CP*AP*CP*GP*TP*GP*GP*TP*C)-3' P 61 2 2 Y 46.30 46.30 72.60 90.00 90.00 120.00 AD0006 5'-D(*AP*CP*CP*GP*GP*CP*CP*GP*GP*T)-3' P 61 2 2 Y 38.50 38.50 77.63 90.00 90.00 120.00 AD0007 5'-D(*GP*CP*GP*TP*AP*(T23)P*AP*CP*GP*C)-3' P 21 21 21 Y 24.63 42.72 46.91 90.00 90.00 90.00 AD0010 5'-D(*GP*GP*CP*GP*CP*C)-3' C 2 2 21 Y 46.15 36.90 110.03 90.00 90.00 90.00 AD0012 5'-D(*GP*CP*GP*TP*AP*(125)P*AP*CP*GP*C)-3' P 21 21 21 Y 24.96 43.57 45.40 90.00 90.00 90.00 AD0013 5'-D(*GP*CP*GP*TP*AP*(MEP)P*AP*CP*GP*C)-3' P 21 21 21 Y 24.82 44.33 44.82 90.00 90.00 90.00 -------------------------------------------------------------------------------- Page 1 created by the NDB Project on Wed May 26 14:22:05 2004 CELL DIMENSIONS FOR PLAIN A-DNA'S -------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord -------------------------------------------------------------------------------- AD0014 5'-D(*GP*CP*GP*TP*AP*(126)P*AP*CP*GP*C)-3' P 21 21 21 Y 24.87 44.68 44.69 90.00 90.00 90.00 AD0015 5'-D(*GP*CP*GP*TP*AP*(125)P*AP*CP*GP*C)-3' P 21 21 21 Y 24.82 45.26 43.97 90.00 90.00 90.00 AD0016 5'-D(*GP*CP*GP*TP*AP*(126)P*AP*CP*GP*C)-3' P 21 21 21 Y 25.16 44.83 44.82 90.00 90.00 90.00 AD0017 5'-D(*GP*CP*GP*TP*AP*(MEP)P*AP*CP*GP*C)-3' P 21 21 21 Y 24.65 44.61 44.16 90.00 90.00 90.00 AD0018 5'-D(*GP*CP*GP*TP*AP*(126)P*AP*CP*GP*C)-3' P 21 21 21 Y 25.18 44.84 44.81 90.00 90.00 90.00 AD0019 5'-D(*GP*CP*GP*TP*AP*(126)P*AP*CP*GP*C)-3' P 21 21 21 Y 25.13 44.53 45.13 90.00 90.00 90.00 AD0020 5'-D(*GP*CP*GP*TP*AP*(TLN)P*AP*CP*GP*C)-3' P 21 21 21 Y 26.14 43.96 45.80 90.00 90.00 90.00 AD0026 5'-D(*CP*CP*CP*GP*AP*TP*CP*GP*GP*G)-3' P 43 21 2 Y 44.30 44.30 24.80 90.00 90.00 90.00 AD0027 5'-D(*GP*CP*GP*TP*AP*UMSP*AP*CP*GP*C)-3' P 21 21 21 Y 24.55 43.97 45.34 90.00 90.00 90.00 AD0028 5'-D(*GP*CP*GP*TP*AP*SMTP*AP*CP*GP*C)-3' P 21 21 21 Y 24.73 44.47 46.23 90.00 90.00 90.00 -------------------------------------------------------------------------------- Page 2 created by the NDB Project on Wed May 26 14:22:05 2004 CELL DIMENSIONS FOR PLAIN A-DNA'S -------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord -------------------------------------------------------------------------------- AD0029 5'-D(*GP*CP*GP*TP*AP*(3ME)P*AP*CP*GP*C)-3' P 21 21 21 Y 25.26 44.11 45.53 90.00 90.00 90.00 AD0031 5'-D(*GP*CP*GP*TP*AP*(GMU)P*AP*CP*GP*C)-3' P 21 21 21 Y 25.11 43.15 45.56 90.00 90.00 90.00 ADF073 5'-D(*GP*CP*CP*GP*GP*C)-3' C 2 2 21 Y 39.10 45.55 39.11 90.00 90.00 90.00 ADH006 5'-D(*GP*GP*GP*GP*CP*CP*CP*C)-3' P 61 Y 45.32 45.32 42.25 90.00 90.00 120.00 ADH007 5'-D(*GP*GP*GP*AP*TP*CP*CP*C)-3' P 61 Y 46.83 46.83 44.49 90.00 90.00 120.00 ADH008 5'-D(*GP*CP*CP*CP*GP*GP*GP*C)-3' P 43 21 2 Y 43.25 43.25 24.61 90.00 90.00 90.00 ADH010 5'-D(*GP*GP*TP*AP*TP*AP*CP*C)-3' P 61 Y 44.97 44.97 41.76 90.00 90.00 120.00 ADH0102 5'-D(P*CP*CP*CP*GP*CP*GP*GP*G)-3' P 21 21 21 Y 21.84 35.40 41.17 90.00 90.00 90.00 ADH0103 5'-D(P*CP*CP*CP*GP*CP*GP*GP*G)-3' P 21 21 21 Y 23.13 40.82 42.52 90.00 90.00 90.00 ADH0104 5'-D(P*CP*CP*CP*GP*CP*GP*GP*G)-3' P 21 21 21 Y 23.14 40.12 41.90 90.00 90.00 90.00 -------------------------------------------------------------------------------- Page 3 created by the NDB Project on Wed May 26 14:22:05 2004 CELL DIMENSIONS FOR PLAIN A-DNA'S -------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord -------------------------------------------------------------------------------- ADH0105 5'-D(P*CP*CP*CP*GP*CP*GP*GP*G)-3' P 21 21 21 Y 24.63 40.59 42.49 90.00 90.00 90.00 ADH0106 5'-D(P*CP*CP*CP*GP*CP*GP*GP*G)-3' P 43 21 2 Y 41.77 41.77 25.15 90.00 90.00 90.00 ADH012 5'-D(*CP*CP*CP*CP*GP*GP*GP*G)-3' P 43 21 2 Y 43.36 43.36 24.83 90.00 90.00 90.00 ADH013 5'-D(*GP*GP*CP*CP*GP*GP*CP*C)-3', 265K P 43 21 2 Y 42.06 42.06 25.17 90.00 90.00 90.00 ADH014 5'-D(*GP*TP*GP*TP*AP*CP*AP*C)-3', SPERMINE P 43 21 2 Y 42.43 42.43 24.75 90.00 90.00 90.00 ADH020 5'-D(*CP*TP*CP*TP*AP*GP*AP*G)-3' P 43 21 2 Y 42.52 42.52 24.33 90.00 90.00 90.00 ADH023 5'-D(*GP*TP*AP*CP*GP*TP*AP*C)-3' P 43 21 2 Y 42.50 42.50 24.79 90.00 90.00 90.00 ADH024 5'-D(*GP*TP*AP*CP*GP*TP*AP*C)-3' P 43 21 2 Y 42.32 42.32 25.04 90.00 90.00 90.00 ADH026 5'-D(*GP*GP*GP*CP*GP*CP*CP*C)-3', TETRAGONAL, 293K P 43 21 2 Y 43.28 43.28 24.66 90.00 90.00 90.00 ADH027 5'-D(*GP*GP*GP*CP*GP*CP*CP*C)-3', TETRAGONAL, 115K P 43 21 2 Y 42.74 42.74 24.57 90.00 90.00 90.00 -------------------------------------------------------------------------------- Page 4 created by the NDB Project on Wed May 26 14:22:05 2004 CELL DIMENSIONS FOR PLAIN A-DNA'S -------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord -------------------------------------------------------------------------------- ADH028 5'-D(*GP*GP*GP*CP*GP*CP*CP*C)-3', HEXAGONAL, 293K P 61 n.a. 46.96 46.96 44.31 90.00 90.00 120.00 ADH029 5'-D(*GP*GP*GP*CP*GP*CP*CP*C)-3', HEXAGONAL, 100K P 61 Y 43.62 43.62 41.49 90.00 90.00 120.00 ADH030 5'-D(*GP*GP*GP*TP*AP*CP*CP*C)-3', ROOM TEMPERATURE P 61 Y 46.80 46.80 44.52 90.00 90.00 120.00 ADH031 5'-D(*GP*GP*GP*TP*AP*CP*CP*C)-3', 100K P 61 Y 46.06 46.06 44.09 90.00 90.00 120.00 ADH032 5'-D(*AP*TP*GP*CP*GP*CP*AP*T)-3', SPERMINE P 43 21 2 n.a. 42.53 42.53 24.52 90.00 90.00 90.00 ADH033 5'-D(*AP*TP*GP*CP*GP*CP*AP*T)-3', W/O SPERMINE P 43 21 2 Y 42.41 42.41 24.90 90.00 90.00 90.00 ADH034 5'-D(*GP*TP*GP*TP*AP*CP*AP*C)-3', HEXAGONAL P 61 2 2 Y 32.40 32.40 79.25 90.00 90.00 120.00 ADH038 5'-D(*GP*TP*GP*TP*AP*CP*AP*C)-3', SPERMINE P 61 2 2 Y 32.18 32.18 78.51 90.00 90.00 120.00 ADH039 5'-D(*GP*TP*GP*TP*AP*CP*AP*C)-3', SPERMIDINE P 61 2 2 Y 32.34 32.34 78.49 90.00 90.00 120.00 ADH041 5'-D(*GP*TP*CP*TP*AP*GP*AP*C)-3' P 43 21 2 Y 42.56 42.56 24.61 90.00 90.00 90.00 -------------------------------------------------------------------------------- Page 5 created by the NDB Project on Wed May 26 14:22:05 2004 CELL DIMENSIONS FOR PLAIN A-DNA'S -------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord -------------------------------------------------------------------------------- ADH047 5'-D(*GP*TP*GP*CP*GP*CP*AP*C)-3' P 43 21 2 Y 42.22 42.22 25.07 90.00 90.00 90.00 ADH054 5'-D(*GP*AP*AP*GP*CP*TP*TP*C)-3' R 3 Y 70.54 70.54 53.30 90.00 90.00 120.00 ADH056 5'-D(*CP*CP*CP*CP*GP*GP*GP*G)-3', TETRAGONAL, 288K P 43 21 2 Y 43.36 43.36 24.83 90.00 90.00 90.00 ADH057 5'-D(*GP*GP*GP*CP*GP*CP*CP*C)-3', TETRAGONAL, P 43 21 2 Y 115K, RE-REFINEMENT 42.74 42.74 24.57 90.00 90.00 90.00 ADH058 5'-D(*GP*GP*CP*CP*GP*GP*CP*C)-3', TETRAGONAL, 288K P 43 21 2 Y 42.04 42.04 25.09 90.00 90.00 90.00 ADH059 5'-D(*GP*TP*AP*CP*GP*TP*AP*C)-3', ORTHORHOMBIC P 21 21 2 Y 38.60 50.82 21.74 90.00 90.00 90.00 ADH070 5'-D(*AP*CP*GP*TP*AP*CP*GP*T)-3' P 43 21 2 Y 42.84 42.84 24.80 90.00 90.00 90.00 ADH076 5'-D(*GP*GP*CP*AP*TP*GP*CP*C)-3' P 61 Y 46.29 46.29 42.97 90.00 90.00 120.00 ADH078 5'-D(*CP*CP*CP*TP*AP*GP*GP*G)-3' P 43 21 2 Y 42.22 42.22 24.90 90.00 90.00 90.00 ADH098 5'-D(*GP*GP*CP*CP*GP*GP*CP*C)-3', 255K P 43 21 2 Y 40.51 40.51 24.67 90.00 90.00 90.00 -------------------------------------------------------------------------------- Page 6 created by the NDB Project on Wed May 26 14:22:05 2004 CELL DIMENSIONS FOR PLAIN A-DNA'S -------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord -------------------------------------------------------------------------------- ADI009 5'-D(*GP*GP*AP*TP*GP*GP*GP*AP*G)-3' P 43 Y 45.29 45.29 24.73 90.00 90.00 90.00 ADJ0102 5'-D(*GP*AP*CP*CP*GP*CP*GP*GP*TP*C)-3', LOW SALT P 61 2 2 Y 38.61 38.61 80.57 90.00 90.00 120.00 ADJ0103 5'-D(*GP*AP*CP*CP*GP*CP*GP*GP*TP*C)-3', HIGH SALT P 61 2 2 Y 38.35 38.35 80.21 90.00 90.00 120.00 ADJ0109 5'-D(*CP*CP*GP*CP*CP*GP*GP*CP*GP*G)-3' P 65 2 2 Y 41.50 41.50 57.50 90.00 90.00 120.00 ADJ0112 5'-D(*GP*TP*AP*CP*GP*CP*GP*TP*AP*C)-3' P 61 2 2 Y 39.26 39.26 77.70 90.00 90.00 120.00 ADJ0113 5'-D(*GP*GP*CP*CP*GP*CP*GP*GP*CP*C)-3' P 61 2 2 Y 39.05 39.05 82.15 90.00 90.00 120.00 ADJ022 5'-D(*AP*CP*CP*GP*GP*CP*CP*GP*GP*T)-3' P 61 2 2 Y 39.23 39.23 78.01 90.00 90.00 120.00 ADJ049 5'-D(*CP*CP*CP*GP*GP*CP*CP*GP*GP*G)-3' P 21 21 21 Y 24.88 44.60 46.97 90.00 90.00 90.00 ADJ050 5'-D(*GP*CP*GP*GP*GP*CP*CP*CP*GP*C)-3', P 21 21 21 Y ORTHORHOMBIC 24.90 44.84 47.97 90.00 90.00 90.00 ADJ051 5'-D(*GP*CP*GP*GP*GP*CP*CP*CP*GP*C)-3', HEXAGONAL P 61 2 2 Y 39.11 39.11 79.23 90.00 90.00 120.00 -------------------------------------------------------------------------------- Page 7 created by the NDB Project on Wed May 26 14:22:05 2004 CELL DIMENSIONS FOR PLAIN A-DNA'S -------------------------------------------------------------------------------- NDB ID Descriptor/a b c Alpha Beta Gamma SpcGrp Coord -------------------------------------------------------------------------------- ADJ065 5'-D(*AP*CP*CP*GP*GP*CP*CP*GP*GP*T)-3', P 61 2 2 Y [CO(NH3)6]3+ 39.09 39.09 77.55 90.00 90.00 120.00 ADJ066 5'-D(*AP*CP*CP*CP*GP*CP*GP*GP*GP*T)-3', BA2+ P 61 2 2 Y 40.12 40.12 78.22 90.00 90.00 120.00 ADJ067 5'-D(*AP*CP*CP*GP*GP*CP*CP*GP*GP*T)-3' P 21 21 21 Y 24.73 45.13 47.52 90.00 90.00 90.00 ADJ075 5'-D(*GP*CP*AP*CP*GP*CP*GP*TP*GP*C)-3' P 61 2 2 Y 38.97 38.97 77.34 90.00 90.00 120.00 ADJ081 5'-D(*CP*CP*GP*GP*GP*CP*CP*CP*GP*G)-3' P 21 21 21 Y 24.91 44.87 48.14 90.00 90.00 90.00 ADJ082 5'-D(*CP*CP*GP*GP*GP*CP*CP*CP*GP*G)-3' P 21 21 21 Y 23.74 40.89 43.60 90.00 90.00 90.00 ADL025 5'-D(*CP*CP*CP*CP*CP*GP*CP*GP*GP*GP*GP*G)-3', P 32 2 1 Y SPERMINE 45.20 45.20 65.00 90.00 90.00 120.00 ADL045 5'-D(*CP*CP*GP*TP*AP*CP*GP*TP*AP*CP*GP*G)-3' P 61 2 2 Y 46.20 46.20 71.50 90.00 90.00 120.00 ADL046 5'-D(*GP*CP*GP*TP*AP*CP*GP*TP*AP*CP*GP*C)-3' P 61 2 2 Y 46.20 46.20 71.50 90.00 90.00 120.00 ADL047 5'-D(*CP*GP*CP*CP*CP*GP*CP*GP*GP*GP*CP*G)-3' P 21 21 21 Y 31.29 42.60 45.99 90.00 90.00 90.00 -------------------------------------------------------------------------------- Page 8 created by the NDB Project on Wed May 26 14:22:05 2004