1T93
Evidence for Multiple Substrate Recognition and Molecular Mechanism of C-C reaction by Cytochrome P450 CYP158A2 from Streptomyces Coelicolor A3(2)
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] | 200 |
| Detector technology | CCD |
| Collection date | 2004-03-25 |
| Detector | BRUKER PROTEUM 300 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 54.800, 70.742, 102.576 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 8.000 - 1.620 |
| R因子 | 0.245 |
| Rwork | 0.245 |
| R-free | 0.27800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1s1f |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.006 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 37.450 | 1.720 |
| 分解能 [Å] (高) | 1.620 | 1.620 |
| Rmerge_l_obs | 0.078 | 0.370 |
| 独立反射数 | 52167 | |
| <I/σ(I)> | 3.1 | 3.2 |
| 完全性 [%] | 97.8 | 99 |
| 冗長性 | 11.8 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | PEG 3350, Bis-Tris, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
