6DQ2
Cronobacter sakazakii (Enterobacter sakazakii) Metallo-beta-lactamse HARLDQ motif mutant S60
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-06-20 |
| Detector | DECTRIS PILATUS 200K |
| Wavelength(s) | 0.7107 |
| Spacegroup name | P 32 2 1 |
| 格子定数 [Å] | 74.406, 74.406, 107.471 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 35.156 - 2.158 |
| R因子 | 0.1904 |
| Rwork | 0.186 |
| R-free | 0.22820 |
| 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] | 0.569 |
| Data reduction software | HKL-2000 |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 35.160 | 2.220 |
| 分解能 [Å] (高) | 2.158 | 2.160 |
| Rmerge_l_obs | 0.095 | 0.701 |
| Rpim | 0.083 | 0.638 |
| 独立反射数 | 18134 | 17897 |
| <I/σ(I)> | 10.9 | |
| 完全性 [%] | 99.7 | 93 |
| 冗長性 | 3.2 | 2.8 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.49 M NaH2PO4 0.91 M K2HPO4 |
