7B6J
Crystal structure of MurE from E.coli in complex with minifrag succinimide
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 | 2019-10-11 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 |
| Unit cell lengths | 58.258, 58.291, 74.633 |
| Unit cell angles | 96.82, 91.36, 104.99 |
Refinement procedure
| Resolution | 47.610 - 2.090 |
| Rwork | 0.183 |
| R-free | 0.23610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7b53 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.487 |
| 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] | 47.610 | 2.000 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.100 | 0.823 |
| Number of reflections | 68240 | 4893 |
| <I/σ(I)> | 10.2 | 1.2 |
| Completeness [%] | 99.7 | 96.7 |
| Redundancy | 6.6 | 3.6 |
| CC(1/2) | 0.998 | 0.599 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 0.1M citrate pH 5.5 11.6% PEG4K 18.4% 2-propanol |
