6XRP
Crystal structure of GlpG in complex with peptide ketoamide inhibitor, Ac-RVWHA-ketoamide-phenylbutyl
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 | 2019-10-26 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.9712 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 109.460, 109.460, 129.471 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 54.730 - 2.400 |
| R-factor | 0.2332 |
| Rwork | 0.233 |
| R-free | 0.24260 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ic8 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.039 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.10_2148) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.430 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.146 | 0.791 |
| Number of reflections | 23475 | 1315 |
| <I/σ(I)> | 7.5 | 0.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9 | 9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1 M Tris, pH 8.5, 3 M sodium nitrate, 15% glycerol |
