4BMW
Crystal structure of the Streptomyces reticuli HbpS E78D, E81D double mutant
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-05-02 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | I 4 2 2 |
| 格子定数 [Å] | 77.390, 77.390, 79.860 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 54.723 - 1.990 |
| R因子 | 0.1849 |
| Rwork | 0.182 |
| R-free | 0.23440 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fpv |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.004 |
| 結合角の平均二乗偏差(RMSD) [度] | 0.827 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 2.040 |
| 分解能 [Å] (高) | 1.990 | 1.990 |
| Rmerge_l_obs | 0.100 | 0.870 |
| 独立反射数 | 8579 | |
| <I/σ(I)> | 11 | 1.84 |
| 完全性 [%] | 99.5 | 99.7 |
| 冗長性 | 5.6 | 5.9 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 8.3 | 20% (W/V) POLYETHYLENE GLYCOL 3350 AND 0.2 M TRI-POTASSIUM CITRATE, pH 8.3 |
