7B61
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 | 58.150, 58.240, 74.030 |
| Unit cell angles | 96.93, 91.27, 105.20 |
Refinement procedure
| Resolution | 56.090 - 1.650 |
| R-factor | 0.19495 |
| Rwork | 0.193 |
| R-free | 0.22694 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7b53 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.662 |
| 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] | 73.380 | 1.650 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Number of reflections | 124106 | 18002 |
| <I/σ(I)> | 7.5 | |
| Completeness [%] | 94.9 | |
| Redundancy | 1.7 | |
| CC(1/2) | 0.997 | 0.427 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 0.1M citrate pH 5.5 17% PEG4K 22% 2-propanol |
