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 |