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 |
