2VRC
Crystal structure of the Citrobacter sp. triphenylmethane reductase complexed with NADP(H)
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 6C1 |
| Synchrotron site | PAL/PLS |
| Beamline | 6C1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 75.957, 76.954, 272.826 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 29.360 - 2.500 |
| R因子 | 0.192 |
| Rwork | 0.190 |
| R-free | 0.23900 |
| Structure solution method | SAD |
| Starting model (for MR) | NONE |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.013 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.391 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0019) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 2.590 |
| 分解能 [Å] (高) | 2.500 | 2.500 |
| Rmerge_l_obs | 0.050 | 0.180 |
| 独立反射数 | 56316 | |
| <I/σ(I)> | 42.2 | 8.45 |
| 完全性 [%] | 100.0 | 99.9 |
| 冗長性 | 6.2 | 6 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 8 | 0.3M NAH2PO4,1.2M KH2PO4,0.2M NACL, 0.1M IMIDAZOLE(PH 8.0) |
