6JED
Crystal structure of IMP-1 metallo-beta-lactamase in a complex with MCR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NW12A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-12-17 |
| Detector | DECTRIS PILATUS3 S 2M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 35.920, 56.820, 101.060 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.530 - 1.570 |
| R-factor | 0.16654 |
| Rwork | 0.165 |
| R-free | 0.19969 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5y5b |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.266 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0230) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 56.820 | 1.650 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.064 | 0.354 |
| Number of reflections | 29943 | 4256 |
| <I/σ(I)> | 22.2 | 6.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.3 | 11.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M sodium acetate, 0.1M sodium HEPES buffer (pH 7.5), 25% PEG 3350 |
