6H23
Crystal structure of the hClpP Y118A mutant with an activating small molecule
Experimental procedure
| Experimental method | 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 |
| Unit cell lengths | 115.504, 97.153, 127.249 |
| Unit cell angles | 90.00, 93.53, 90.00 |
Refinement procedure
| Resolution | 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 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.340 | 3.189 |
| High resolution limit [Å] | 3.089 | 3.089 |
| Rmerge | 0.198 | 1.143 |
| Rmeas | 0.236 | 1.362 |
| Rpim | 0.128 | 0.733 |
| Number of reflections | 51326 | 4938 |
| <I/σ(I)> | 5.7 | 1.08 |
| Completeness [%] | 98.9 | 95.79 |
| Redundancy | 3.3 | 3.3 |
| CC(1/2) | 0.985 | 0.365 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | magnesium chloride, MES, PEG4000 |
