4CQE
B-Raf Kinase V600E mutant in complex with a diarylthiazole B-Raf Inhibitor
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID29 |
Synchrotron site | ESRF |
Beamline | ID29 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-02 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 21 |
格子定数 [Å] | 52.605, 105.943, 109.889 |
格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
残基 | 30.000 - 2.300 |
R因子 | 0.21006 |
Rwork | 0.208 |
R-free | 0.25519 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3c4c |
結合長の平均二乗偏差(RMSD) [Å] | 0.010 |
結合角の平均二乗偏差(RMSD) [度] | 1.470 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.6.0117) |
Quality characteristics
Overall | Outer shell | |
分解能 [Å] (低) | 40.000 | 2.300 |
分解能 [Å] (高) | 2.300 | 2.300 |
Rmerge_l_obs | 0.080 | 0.350 |
独立反射数 | 28170 | |
<I/σ(I)> | 15.2 | |
完全性 [%] | 99.8 | 96.1 |
冗長性 | 6.1 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, SITTING DROP | 0.1M HEPES PH 7.5.0, 0.2 M MGCL2 AND 20% PEG6000, VAPOR DIFFUSION, SITTING DROP |