7B6N
Crystal structure of MurE from E.coli in complex with Z757284952
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-02-29 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.96862 |
| Spacegroup name | P 1 |
| Unit cell lengths | 58.046, 57.932, 74.110 |
| Unit cell angles | 96.99, 91.40, 105.44 |
Refinement procedure
| Resolution | 55.910 - 1.790 |
| R-factor | 0.21702 |
| Rwork | 0.216 |
| R-free | 0.24283 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7b53 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.210 |
| 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] | 55.910 | 1.880 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Number of reflections | 87528 | 12354 |
| <I/σ(I)> | 4.8 | |
| Completeness [%] | 96.8 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.995 | 0.419 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 0.1M citrate pH 5.5 11.6% PEG4K 20.3% 2-propanol |
