6H23
Crystal structure of the hClpP Y118A mutant with an activating small molecule
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-12-08 |
| Detector | DECTRIS PILATUS3 X 2M |
| Wavelength(s) | 0.873130 |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 115.504, 97.153, 127.249 |
| 格子定数 [度] | 90.00, 93.53, 90.00 |
精密化法
| 残基 | 42.340 - 3.089 |
| Rwork | 0.215 |
| R-free | 0.26060 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 42.340 | 3.189 |
| 分解能 [Å] (高) | 3.089 | 3.089 |
| Rmerge_l_obs | 0.198 | 1.143 |
| Rmeas | 0.236 | 1.362 |
| Rpim | 0.128 | 0.733 |
| 独立反射数 | 51326 | 4938 |
| <I/σ(I)> | 5.7 | 1.08 |
| 完全性 [%] | 98.9 | 95.79 |
| 冗長性 | 3.3 | 3.3 |
| CC(1/2) | 0.985 | 0.365 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | magnesium chloride, MES, PEG4000 |
