7B6Q
Crystal structure of MurE from E.coli in complex with Z57299526
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-13 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.91587 |
| Spacegroup name | P 1 |
| Unit cell lengths | 58.120, 58.150, 74.252 |
| Unit cell angles | 96.99, 91.82, 104.99 |
Refinement procedure
| Resolution | 56.080 - 1.820 |
| R-factor | 0.20782 |
| Rwork | 0.206 |
| R-free | 0.23657 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7b53 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.192 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 73.550 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 82093 | 12064 |
| <I/σ(I)> | 6.2 | |
| Completeness [%] | 95.0 | |
| Redundancy | 1.8 | |
| CC(1/2) | 0.996 | 0.460 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 0.1M citrate pH 5.5 19% PEG4K 14% 2-propanol |
