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 |
