7B6N
Crystal structure of MurE from E.coli in complex with Z757284952
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I24 |
Synchrotron site | Diamond |
Beamline | I24 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-29 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.96862 |
Spacegroup name | P 1 |
Unit cell lengths | 58.046, 57.932, 74.110 |
Unit cell angles | 96.99, 91.40, 105.44 |
Refinement procedure
Resolution | 55.910 - 1.790 |
R-factor | 0.21702 |
Rwork | 0.216 |
R-free | 0.24283 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7b53 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.210 |
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] | 55.910 | 1.880 |
High resolution limit [Å] | 1.790 | 1.790 |
Number of reflections | 87528 | 12354 |
<I/σ(I)> | 4.8 | |
Completeness [%] | 96.8 | |
Redundancy | 3.5 | |
CC(1/2) | 0.995 | 0.419 |
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 20.3% 2-propanol |