7B6G
Crystal structure of MurE from E.coli in complex with Z1675346324
This is a non-PDB format compatible entry.
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 | 58.276, 58.293, 74.115 |
| Unit cell angles | 97.23, 91.45, 105.31 |
Refinement procedure
| Resolution | 73.388 - 1.937 |
| Rwork | 0.205 |
| R-free | 0.25570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7b53 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.486 |
| 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] | 73.420 | 1.990 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.087 | |
| Number of reflections | 66302 | 8015 |
| <I/σ(I)> | 8 | |
| Completeness [%] | 96.0 | |
| Redundancy | 1.7 | 1.7 |
| CC(1/2) | 0.996 | 0.672 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 0.1M citrate pH 5.5 23% PEG4K 16% 2-propanol |
