6IH6
Phosphite Dehydrogenase mutant I151R/P176R/M207A from Ralstonia sp. 4506 in complex with non-natural cofactor Nicotinamide Cytosine dinucleotide
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2018-04-25 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 62.197, 118.872, 98.340 |
| 格子定数 [度] | 90.00, 90.31, 90.00 |
精密化法
| 残基 | 38.672 - 2.491 |
| R因子 | 0.2022 |
| Rwork | 0.199 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.010 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.180 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 2.530 |
| 分解能 [Å] (高) | 2.490 | 2.490 |
| Rmerge_l_obs | 0.100 | 0.530 |
| 独立反射数 | 48679 | 6292 |
| <I/σ(I)> | 4.8 | |
| 完全性 [%] | 97.3 | 93.3 |
| 冗長性 | 4.5 |
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) PEG3350 |
