7B6Q
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 | 58.120, 58.150, 74.252 |
Unit cell angles | 96.99, 91.82, 104.99 |
Refinement procedure
Resolution | 56.080 - 1.820 |
R-factor | 0.20782 |
Rwork | 0.206 |
R-free | 0.23657 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7b53 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.192 |
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] | 73.550 | 1.900 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 82093 | 12064 |
<I/σ(I)> | 6.2 | |
Completeness [%] | 95.0 | |
Redundancy | 1.8 | |
CC(1/2) | 0.996 | 0.460 |
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 |