2WI6
Orally Active 2-Amino Thienopyrimidine Inhibitors of the Hsp90 Chaperone
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2007-11-09 |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | I 2 2 2 |
| 格子定数 [Å] | 64.930, 87.957, 99.132 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 65.800 - 2.180 |
| R因子 | 0.237 |
| Rwork | 0.233 |
| R-free | 0.30400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uy6 |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.020 |
| 結合角の平均二乗偏差(RMSD) [度] | 2.096 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0066) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 2.900 |
| 分解能 [Å] (高) | 2.180 | 2.180 |
| Rmerge_l_obs | 0.050 | 0.270 |
| 独立反射数 | 14988 | |
| <I/σ(I)> | 31.3 | 3.8 |
| 完全性 [%] | 86.3 | 58.3 |
| 冗長性 | 3 | 2 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 6.5 | pH 6.5 |
