4AQ3
HUMAN BCL-2 WITH PHENYLACYLSULFONAMIDE INHIBITOR
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-17 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 32 |
| 格子定数 [Å] | 115.214, 115.214, 102.318 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 100.000 - 2.400 |
| R因子 | 0.203 |
| Rwork | 0.201 |
| R-free | 0.24494 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | INTERNAL STRUCTURE |
| 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] | 1.884 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 40.000 | 2.490 |
| 分解能 [Å] (高) | 2.400 | 2.400 |
| Rmerge_l_obs | 0.080 | 0.580 |
| 独立反射数 | 58071 | |
| <I/σ(I)> | 14.2 | 1.8 |
| 完全性 [%] | 97.8 | 88.7 |
| 冗長性 | 3.4 | 2.7 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 |
