7B9W
Crystal structure of MurE from E.coli in complex with Z757284380
This is a non-PDB format compatible entry.
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 | 58.409, 58.621, 74.438 |
| Unit cell angles | 97.11, 91.54, 104.84 |
Refinement procedure
| Resolution | 56.340 - 1.820 |
| Rwork | 0.193 |
| R-free | 0.23110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7b53 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.505 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.360 | 1.810 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.074 | 1.619 |
| Rmeas | 0.088 | 1.930 |
| Rpim | 0.048 | |
| Number of reflections | 88411 | 11841 |
| <I/σ(I)> | 8.9 | 0.3 |
| Completeness [%] | 97.6 | 96.3 |
| Redundancy | 3.3 | 3.4 |
| CC(1/2) | 0.998 | 0.314 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 0.1M citrate pH 5.5 11.9% PEG4K 20.1% 2-propanol |
