7B9E
Crystal structure of MurE from E.coli in complex with Z275151340
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 | 58.517, 58.546, 74.194 |
Unit cell angles | 96.93, 91.45, 104.74 |
Refinement procedure
Resolution | 47.790 - 2.120 |
R-factor | 0.22673 |
Rwork | 0.225 |
R-free | 0.25929 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7b53 |
RMSD bond length | 0.005 |
RMSD bond angle | 1.027 |
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] | 47.790 | 2.230 |
High resolution limit [Å] | 2.120 | 2.120 |
Number of reflections | 51879 | 7563 |
<I/σ(I)> | 3.2 | |
Completeness [%] | 96.3 | |
Redundancy | 1.8 | |
CC(1/2) | 0.991 | 0.387 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 0.1M citrate pH 5.5 19% PEG4K 20% 2-propanol |