7B6K
Crystal structure of MurE from E.coli in complex with Z57715447
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 | 58.693, 58.903, 74.011 |
| Unit cell angles | 97.10, 91.20, 104.60 |
Refinement procedure
| Resolution | 73.270 - 1.838 |
| Rwork | 0.206 |
| R-free | 0.25590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7b53 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.512 |
| 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] | 73.270 | 1.870 |
| High resolution limit [Å] | 1.770 | 1.770 |
| Number of reflections | 87747 | 12825 |
| <I/σ(I)> | 8.2 | |
| Completeness [%] | 95.1 | |
| Redundancy | 1.8 | |
| CC(1/2) | 0.999 | 0.450 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 0.1M citrate pH 5.5 21% PEG4K 22% 2-propanol |
