6VJ9
Crystal structure of GlpG in complex with peptide boronate inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CHESS BEAMLINE F1 |
Synchrotron site | CHESS |
Beamline | F1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-05-07 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9718 |
Spacegroup name | H 3 2 |
Unit cell lengths | 111.310, 111.310, 125.210 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 32.150 - 2.300 |
R-factor | 0.22894 |
Rwork | 0.227 |
R-free | 0.25839 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ic8 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.885 |
Data reduction software | iMOSFLM |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 32.130 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.093 | 0.621 |
Number of reflections | 13444 | 1296 |
<I/σ(I)> | 7.5 | |
Completeness [%] | 99.9 | |
Redundancy | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1 M Tris, pH 8.5, 3 M sodium nitrate, 15% glycerol |