7B6L
Crystal structure of MurE from E.coli in complex with Z57299368
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 | 2020-02-02 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.9762 |
| Spacegroup name | P 1 |
| Unit cell lengths | 58.268, 58.147, 74.463 |
| Unit cell angles | 96.83, 91.42, 104.56 |
Refinement procedure
| Resolution | 73.820 - 2.080 |
| R-factor | 0.20886 |
| Rwork | 0.207 |
| R-free | 0.24362 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7b53 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.327 |
| 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] | 73.820 | 2.180 |
| High resolution limit [Å] | 2.070 | 2.070 |
| Number of reflections | 53195 | 8015 |
| <I/σ(I)> | 6.5 | |
| Completeness [%] | 93.0 | |
| Redundancy | 2 | |
| CC(1/2) | 0.998 | 0.447 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 0.1M citrate pH 5.5 13% PEG4K 21% 2-propanol |
