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 |