7B6M
Crystal structure of MurE from E.coli in complex with Z1198948504
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 | 2020-02-29 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.96862 |
Spacegroup name | P 1 |
Unit cell lengths | 58.137, 58.153, 74.348 |
Unit cell angles | 97.08, 91.49, 104.93 |
Refinement procedure
Resolution | 56.130 - 1.670 |
R-factor | 0.19818 |
Rwork | 0.197 |
R-free | 0.22586 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7b53 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.299 |
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] | 56.130 | 1.830 |
High resolution limit [Å] | 1.670 | 1.740 |
Number of reflections | 99570 | 13426 |
<I/σ(I)> | 8.3 | |
Completeness [%] | 97.1 | |
Redundancy | 3.5 | |
CC(1/2) | 0.997 | 0.465 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 294 | 0.1M citrate pH 5.5 10% PEG4K 19.7% 2-propanol |