7B6I
Crystal structure of MurE from E.coli in complex with Z1373445602
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 | 58.190, 58.426, 74.229 |
| Unit cell angles | 97.08, 91.44, 104.72 |
Refinement procedure
| Resolution | 73.510 - 2.069 |
| Rwork | 0.203 |
| R-free | 0.25880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7b53 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.529 |
| 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] | 73.510 | 2.130 |
| High resolution limit [Å] | 2.020 | 2.020 |
| Number of reflections | 56353 | 7369 |
| <I/σ(I)> | 7.9 | |
| Completeness [%] | 91.6 | |
| Redundancy | 1.8 | |
| CC(1/2) | 0.998 | 0.424 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 0.1M citrate pH 5.5 19% PEG4K 14% 2-propanol |
