7B53
Crystal structure of MurE from E.coli
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-04-22 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 |
| Unit cell lengths | 58.631, 58.944, 74.228 |
| Unit cell angles | 97.32, 91.54, 105.17 |
Refinement procedure
| Resolution | 56.340 - 1.750 |
| R-factor | 0.19645 |
| Rwork | 0.195 |
| R-free | 0.21971 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1e8c |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.157 |
| 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] | 56.400 | 1.800 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Number of reflections | 92515 | 6655 |
| <I/σ(I)> | 8.4 | |
| Completeness [%] | 96.6 | 93.5 |
| Redundancy | 1.9 | 1.3 |
| CC(1/2) | 0.997 | 0.495 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1M citrate pH 5.5 14% PEG4K 20% 2-propanol |
