2BMO
The Crystal Structure of Nitrobenzene Dioxygenase
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-09-14 |
| Detector | ADSC CCD |
| Spacegroup name | P 63 |
| 格子定数 [Å] | 121.586, 121.586, 84.356 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 52.000 - 1.200 |
| R因子 | 0.156 |
| Rwork | 0.156 |
| R-free | 0.17200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1o7w |
| 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] | 1.270 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 52.000 | 1.260 |
| 分解能 [Å] (高) | 1.200 | 1.200 |
| Rmerge_l_obs | 0.090 | 0.610 |
| 独立反射数 | 207117 | |
| <I/σ(I)> | 4.1 | 1.4 |
| 完全性 [%] | 95.0 | 91.8 |
| 冗長性 | 6.5 | 4.5 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 0.1M MES PH 6.0, 6% PEG 8000 (W/V), 5MM NICL2 |
