7B6J
Crystal structure of MurE from E.coli in complex with minifrag succinimide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-11 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.97625 |
Spacegroup name | P 1 |
Unit cell lengths | 58.258, 58.291, 74.633 |
Unit cell angles | 96.82, 91.36, 104.99 |
Refinement procedure
Resolution | 47.610 - 2.090 |
Rwork | 0.183 |
R-free | 0.23610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7b53 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.487 |
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] | 47.610 | 2.000 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.100 | 0.823 |
Number of reflections | 68240 | 4893 |
<I/σ(I)> | 10.2 | 1.2 |
Completeness [%] | 99.7 | 96.7 |
Redundancy | 6.6 | 3.6 |
CC(1/2) | 0.998 | 0.599 |
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 18.4% 2-propanol |