3OIX
Crystal structure of the putative dihydroorotate dehydrogenase from Streptococcus mutans
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BSRF BEAMLINE 3W1A |
| Synchrotron site | BSRF |
| Beamline | 3W1A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-07-10 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 2 2 21 |
| 格子定数 [Å] | 103.126, 158.276, 193.351 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 33.096 - 2.399 |
| R因子 | 0.2038 |
| Rwork | 0.202 |
| R-free | 0.24760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1dor |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.008 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.171 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 2.440 |
| 分解能 [Å] (高) | 2.399 | 2.399 |
| Rmerge_l_obs | 0.112 | 0.423 |
| 独立反射数 | 57164 | |
| <I/σ(I)> | 25.8 | 3.9 |
| 完全性 [%] | 92.0 | 93.5 |
| 冗長性 | 10 | 9.1 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION | 6 | 293 | 0.1M MES, 12% PEG 20000, 0.03% dichloromethane, pH 6.0, VAPOR DIFFUSION, temperature 293K |
