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 |