4BQJ
structure of HSP90 with an inhibitor bound
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-04-07 |
Detector | MAR scanner 345 mm plate |
Spacegroup name | P 1 21 1 |
格子定数 [Å] | 53.699, 40.855, 54.221 |
格子定数 [度] | 90.00, 115.83, 90.00 |
精密化法
残基 | 30.000 - 2.000 |
R因子 | 0.19224 |
Rwork | 0.191 |
R-free | 0.22089 |
Structure solution method | MOLECULAR REPLACEMENT |
結合長の平均二乗偏差(RMSD) [Å] | 0.008 |
結合角の平均二乗偏差(RMSD) [度] | 1.229 |
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 | 2.070 |
分解能 [Å] (高) | 2.000 | 2.000 |
Rmerge_l_obs | 0.080 | 0.270 |
独立反射数 | 14089 | |
<I/σ(I)> | 12.6 | 4 |
完全性 [%] | 97.1 | 82.1 |
冗長性 | 3.5 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 |