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)) |
