6IH4
Crystal structure of Phosphite Dehydrogenase mutant I151R/P176E from Ralstonia sp. 4506
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-01-25 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 60.560, 97.822, 61.640 |
| 格子定数 [度] | 90.00, 102.77, 90.00 |
精密化法
| 残基 | 30.000 - 2.600 |
| R因子 | 0.1782 |
| Rwork | 0.176 |
| R-free | 0.22210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4e5m |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.003 |
| 結合角の平均二乗偏差(RMSD) [度] | 0.580 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.060 | 2.690 |
| 分解能 [Å] (高) | 2.600 | 2.600 |
| Rmerge_l_obs | 0.220 | 0.550 |
| 独立反射数 | 21013 | 1767 |
| <I/σ(I)> | 9.98 | |
| 完全性 [%] | 97.1 | |
| 冗長性 | 6.6 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289 | 0.2 M NaCl, 0.1 M Tris-HCl pH 8.0, 25% (w/v) PEG 3350 |
