5Z18
The crystal structure of Ruminococcus gnavus beta-glucuronidase
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-11-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| 格子定数 [Å] | 181.868, 118.182, 210.355 |
| 格子定数 [度] | 90.00, 93.45, 90.00 |
精密化法
| 残基 | 29.033 - 2.495 |
| R因子 | 0.1678 |
| Rwork | 0.167 |
| R-free | 0.20940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.009 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.238 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 30.000 | 2.590 |
| 分解能 [Å] (高) | 2.495 | 5.380 | 2.500 |
| Rmerge_l_obs | 0.093 | 0.052 | 0.410 |
| Rmeas | 0.109 | 0.062 | 0.474 |
| Rpim | 0.055 | 0.034 | 0.235 |
| 独立反射数 | 151886 | 15228 | 15197 |
| <I/σ(I)> | 12.4 | ||
| 完全性 [%] | 98.8 | 97.5 | 99.2 |
| 冗長性 | 3.8 | 3.3 | 3.9 |
| CC(1/2) | 0.995 | 0.866 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 100mM Sodium Citrate buffer, pH 4.3, 100mM Sodium Citrate salt, 22%(w/v) PEG3350 |
