5HH4
Crystal structure of metallo-beta-lactamase IMP-1 in complex with a phosphonate-based inhibitor
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 | 2015-07-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.96862 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.943, 78.309, 260.545 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 58.158 - 2.000 |
| R-factor | 0.1733 |
| Rwork | 0.172 |
| R-free | 0.20570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ddk |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.167 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.120 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.191 | 0.804 |
| Number of reflections | 68602 | |
| <I/σ(I)> | 8.5 | 3.2 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 10.2 | 10.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291.15 | 0.1 M sodium cacodylate pH 6.0, 0.2 M sodium acetate, 25% PEG 8000. 1ul protein (25 mg/ml) mixed with 1ul reagent |
