7B6O
Crystal structure of E.coli MurE mutant - C269S C340S C450S
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-17 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97628 |
| Spacegroup name | P 1 |
| Unit cell lengths | 58.890, 59.310, 74.600 |
| Unit cell angles | 97.08, 91.52, 104.67 |
Refinement procedure
| Resolution | 56.930 - 1.860 |
| R-factor | 0.21503 |
| Rwork | 0.213 |
| R-free | 0.24722 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7b53 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.209 |
| 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] | 56.930 | 1.910 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Number of reflections | 79232 | 5822 |
| <I/σ(I)> | 8.4 | |
| Completeness [%] | 97.5 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.995 | 0.339 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 0.1M citrate pH 5.5 13% PEG4K 22% 2-propanol |
