6DQX
Actinobacillus ureae class Id ribonucleotide reductase alpha subunit
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-18 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 42 21 2 |
| 格子定数 [Å] | 97.984, 97.984, 132.005 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 50.000 - 1.760 |
| R因子 | 0.1932 |
| Rwork | 0.192 |
| R-free | 0.22390 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6dqw |
| 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] | 1.377 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 50.000 | 1.790 |
| 分解能 [Å] (高) | 1.760 | 4.780 | 1.760 |
| Rmerge_l_obs | 0.053 | 0.030 | 0.540 |
| Rmeas | 0.058 | 0.033 | 0.605 |
| Rpim | 0.022 | 0.013 | 0.267 |
| Total number of observations | 450739 | ||
| 独立反射数 | 62864 | 3371 | 2722 |
| <I/σ(I)> | 11.9 | ||
| 完全性 [%] | 97.8 | 95.8 | 86 |
| 冗長性 | 7.2 | 6.6 | 4.8 |
| CC(1/2) | 0.998 | 0.890 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 16% PEG 4000, 0.2 M magnesium chloride, 0.1 M tris base pH 8.5 |
