2V7A
Crystal structure of the T315I Abl mutant in complex with the inhibitor PHA-739358
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-01 |
| Detector | ADSC CCD |
| Spacegroup name | P 62 |
| 格子定数 [Å] | 159.757, 159.757, 56.931 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 30.000 - 2.500 |
| R因子 | 0.209 |
| Rwork | 0.207 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fpu |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.013 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.580 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 2.600 |
| 分解能 [Å] (高) | 2.500 | 2.500 |
| Rmerge_l_obs | 0.080 | 0.505 |
| 独立反射数 | 29049 | |
| <I/σ(I)> | 12 | 2 |
| 完全性 [%] | 100.0 | 100 |
| 冗長性 | 5 | 5 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 20% PEG 4000 ,1M HEPES PH 7.0, 0.1 M MGCL2, |
