5N9W
Structure of adenylation domain THR1 involved in the biosynthesis of 4-chlorothreonine in Streptomyces SP.OH-5093, apo structure
「5APL」から置き換えられましたExperimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 1 2 1 |
| 格子定数 [Å] | 177.633, 52.806, 108.861 |
| 格子定数 [度] | 90.00, 105.81, 90.00 |
精密化法
| 残基 | 46.955 - 2.456 |
| R因子 | 0.2009 |
| Rwork | 0.197 |
| R-free | 0.26990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vnq |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.009 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.205 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX (dev_1647) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 2.600 |
| 分解能 [Å] (高) | 2.456 | 2.456 |
| Rmerge_l_obs | 0.140 | 0.810 |
| 独立反射数 | 35853 | |
| <I/σ(I)> | 12 | 2.25 |
| 完全性 [%] | 99.6 | 98.5 |
| 冗長性 | 6.7 | 6.7 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 294 | 0,2M Magnesium Acetate 0,1M Sodium Cacodylate 20% w/v PEG8000 |
