5Z1A
The crystal structure of Bacteroides fragilis beta-glucuronidase in complex with uronic isofagomine
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 | 2017-07-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | I 2 2 2 |
| 格子定数 [Å] | 80.253, 103.135, 199.147 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 29.399 - 1.859 |
| R因子 | 0.1545 |
| Rwork | 0.153 |
| R-free | 0.18970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.011 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.251 |
| 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 | 1.930 |
| 分解能 [Å] (高) | 1.859 | 4.000 | 1.860 |
| Rmerge_l_obs | 0.050 | 0.025 | 0.391 |
| Rmeas | 0.057 | 0.029 | 0.452 |
| Rpim | 0.028 | 0.015 | 0.222 |
| 独立反射数 | 68429 | 6852 | 6704 |
| <I/σ(I)> | 14.5 | ||
| 完全性 [%] | 98.3 | 94.6 | 97.2 |
| 冗長性 | 4.2 | 3.8 | 3.8 |
| CC(1/2) | 0.998 | 0.914 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 250mM DL-Malic acid, pH 7.0, 20%(w/v) PEG3350 |
