5ZI0
Ketoreductase LbCR mutant - M8
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-12-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 2 2 21 |
| 格子定数 [Å] | 71.929, 118.194, 248.051 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 31.006 - 2.302 |
| R因子 | 0.1707 |
| Rwork | 0.168 |
| R-free | 0.22000 |
| 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] | 1.055 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.2_1309) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 2.340 |
| 分解能 [Å] (高) | 2.300 | 2.300 |
| Rmerge_l_obs | 0.062 | 0.094 |
| 独立反射数 | 46187 | |
| <I/σ(I)> | 18.906 | |
| 完全性 [%] | 97.6 | |
| 冗長性 | 10.2 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.1M MIB buffer (malonic acid:imidazole:boric acid in a mo-lar ratio of 2:3:3) pH 6.0, 21% (v/v) PEG 1500 |
