1LU5
2.4 Angstrom Crystal Structure of the Asymmetric Platinum Complex {Pt(ammine)(cyclohexylamine)}2+ Bound to a Dodecamer DNA Duplex
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2001-08-12 |
Detector | MARRESEARCH |
Wavelength(s) | 0.97 |
Spacegroup name | P 1 |
格子定数 [Å] | 31.644, 35.638, 46.556 |
格子定数 [度] | 79.53, 83.02, 81.36 |
精密化法
残基 | 50.000 - 2.400 |
R-free | 0.24950 * |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1aio |
結合長の平均二乗偏差(RMSD) [Å] | 0.005 |
結合角の平均二乗偏差(RMSD) [度] | 0.022 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SHELXS |
Refinement software | SHELXL-97 |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 50.000 | 2.490 |
分解能 [Å] (高) | 2.400 | 2.400 |
Rmerge_l_obs | 0.090 * | 0.277 * |
Total number of observations | 42245 * | |
独立反射数 | 7337 | |
<I/σ(I)> | 9.2 | |
完全性 [%] | 96.3 | 96.3 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 4. * | spermine, sodium cacodylate, magnesium acetate, PEG 4000, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
結晶化試薬
ID | 結晶ID | 濃度 | 試薬名 | 濃度 (単位) | 詳細 |
1 | 1 | 1 | spermine | ||
2 | 1 | 1 | sodium cacodylate | ||
3 | 1 | 1 | magnesium acetate | ||
4 | 1 | 1 | PEG 4000 |
文献の結晶化試薬
ID | 結晶ID | 溶液 | 試薬名 | 濃度 (単位) (単位) | 詳細 |
1 | 1 | drop | protein | 0.2 (mM) | |
2 | 1 | reservoir | 50 (mM) | pH6.5 | |
3 | 1 | reservoir | spermine | 12 (mM) | |
4 | 1 | reservoir | 120 (mM) | ||
5 | 1 | reservoir | PEG4000 | 15 (%(w/v)) |