6VJ8
Crystal structure of GlpG in complex with peptide chloromethylketone 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) | 0.972 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 110.049, 110.049, 127.311 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.010 - 2.300 |
| R-factor | 0.21983 |
| Rwork | 0.218 |
| R-free | 0.25225 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ic8 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.390 |
| Data reduction software | iMOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.330 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.097 | 0.568 |
| Number of reflections | 13264 | 1293 |
| <I/σ(I)> | 13.3 | |
| Completeness [%] | 99.1 | |
| Redundancy | 10.6 |
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 |
