5H6S
Crystal structure of Hydrazidase S179A mutant complexed with a substrate
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-17A |
| Synchrotron site | Photon Factory |
| Beamline | BL-17A |
| Temperature [K] | 95 |
| Detector technology | CCD |
| Collection date | 2013-06-22 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9800 |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 73.042, 126.478, 123.185 |
| 格子定数 [度] | 90.00, 105.66, 90.00 |
精密化法
| 残基 | 40.600 - 1.800 |
| R因子 | 0.17309 |
| Rwork | 0.172 |
| R-free | 0.19158 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5h6t |
| 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] | 1.360 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0155) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 1.820 |
| 分解能 [Å] (高) | 1.800 | 1.800 |
| Rmerge_l_obs | 0.065 | 0.386 |
| 独立反射数 | 196526 | |
| <I/σ(I)> | 29.9 | 5.2 |
| 完全性 [%] | 97.9 | 96.3 |
| 冗長性 | 3.8 | 3.7 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 0.1M imidazole, 0.17 M LiSO4, 2M (NH4)2SO4 |
