2XSH
CRYSTAL STRUCTURE OF P4 VARIANT OF BIPHENYL DIOXYGENASE FROM BURKHOLDERIA XENOVORANS LB400 IN COMPLEX WITH 2,6 DI CHLOROBIPHENYL
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 86.728, 276.762, 92.317 |
| 格子定数 [度] | 90.00, 117.37, 90.00 |
精密化法
| 残基 | 138.680 - 2.290 |
| R因子 | 0.18863 |
| Rwork | 0.186 |
| R-free | 0.24456 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xr8 |
| 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] | 1.136 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0019) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 125.000 | 2.380 |
| 分解能 [Å] (高) | 2.280 | 2.280 |
| Rmerge_l_obs | 0.080 | 0.350 |
| 独立反射数 | 177300 | |
| <I/σ(I)> | 18.6 | 1.5 |
| 完全性 [%] | 86.0 | 51.4 |
| 冗長性 | 4 | 1.2 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 6 | PEG 8K, PIPES PH 6 |
