5MT6
Structure of E.coli GlpG in complex with peptide derived inhibitor Ac-RVRHA-phenylethyl-ketoamide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I02 |
Synchrotron site | Diamond |
Beamline | I02 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-11-25 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9794 |
Spacegroup name | H 3 2 |
Unit cell lengths | 111.710, 111.710, 124.229 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 52.310 - 2.160 |
R-factor | 0.21598 |
Rwork | 0.214 |
R-free | 0.26593 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2xov |
RMSD bond length | 0.012 |
RMSD bond angle | 1.508 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 52.310 | 2.230 |
High resolution limit [Å] | 2.160 | 2.160 |
Rmerge | 0.080 | 0.720 |
Number of reflections | 16097 | |
<I/σ(I)> | 10.2 | 1.9 |
Completeness [%] | 99.4 | 99.6 |
Redundancy | 4.7 | 4.6 |
CC(1/2) | 0.559 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 295 | 2M sodium chloride |