7B68
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 | 58.283, 58.403, 73.882 |
| Unit cell angles | 97.08, 91.46, 105.59 |
Refinement procedure
| Resolution | 56.100 - 1.890 |
| R-factor | 0.20967 |
| Rwork | 0.208 |
| R-free | 0.24616 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7b53 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.055 |
| 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] | 56.100 | 1.940 |
| High resolution limit [Å] | 1.840 | 1.840 |
| Number of reflections | 76929 | 11276 |
| <I/σ(I)> | 5.2 | |
| Completeness [%] | 95.4 | |
| Redundancy | 1.8 | |
| CC(1/2) | 0.999 | 0.423 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 0.1M citrate pH 5.5 19% PEG4K 20% 2-propanol |
