8I52
Crystal structure of VIM-2 metallo-beta-lactamase in complex with 10-HHIA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-03-14 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 101.320, 79.250, 67.900 |
Unit cell angles | 90.00, 130.14, 90.00 |
Refinement procedure
Resolution | 55.393 - 1.580 |
Rwork | 0.147 |
R-free | 0.17840 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5yd7 |
RMSD bond length | 0.014 |
RMSD bond angle | 1.735 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.393 | 1.670 |
High resolution limit [Å] | 1.580 | 1.580 |
Rmerge | 0.082 | 0.204 |
Rmeas | 0.089 | 0.221 |
Rpim | 0.034 | 0.084 |
Number of reflections | 55926 | 8043 |
<I/σ(I)> | 16 | 8 |
Completeness [%] | 99.7 | |
Redundancy | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M Magnesium formate dehydrate, 25% PEG 3350 |