6MA8
Human CYP3A4 bound to PMSF
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL14-1 |
| Synchrotron site | SSRL |
| Beamline | BL14-1 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2014-12-17 |
| Detector | MARMOSAIC 325 mm CCD |
| Wavelength(s) | 1.19 |
| Spacegroup name | I 2 2 2 |
| 格子定数 [Å] | 77.220, 99.620, 131.880 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 40.218 - 1.830 |
| R因子 | 0.1847 |
| Rwork | 0.182 |
| R-free | 0.22860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5vcc |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.007 |
| 結合角の平均二乗偏差(RMSD) [度] | 0.964 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.11.1_2575)) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 66.640 | 1.930 |
| 分解能 [Å] (高) | 1.830 | 1.830 |
| Rmerge_l_obs | 0.071 | 1.635 |
| Rpim | 0.035 | 0.737 |
| 独立反射数 | 45087 | 6526 |
| <I/σ(I)> | 9 | 0.8 |
| 完全性 [%] | 99.8 | 100 |
| 冗長性 | 4.8 | 4.8 |
| CC(1/2) | 0.998 | 0.330 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | MICROBATCH | 7 | 298 | PEG 3350, sodium malonate |
