4B7P
Structure of HSP90 with NMS-E973 inhibitor bound
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-12 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 52.746, 44.042, 53.621 |
| 格子定数 [度] | 90.00, 115.59, 90.00 |
精密化法
| 残基 | 30.340 - 1.700 |
| R因子 | 0.17549 |
| Rwork | 0.174 |
| R-free | 0.19720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.014 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.866 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC (5.6.0117) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 1.800 |
| 分解能 [Å] (高) | 1.700 | 1.700 |
| Rmerge_l_obs | 0.040 | 0.200 |
| 独立反射数 | 24199 | |
| <I/σ(I)> | 17 | |
| 完全性 [%] | 98.3 | 96.9 |
| 冗長性 | 4 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 |
