6KZN
Crystal Structure Of VIM-2 Metallo-beta-lactamase In Complex With Inhibitor X2
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 | 2017-12-09 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.00 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 101.960, 79.150, 77.740 |
Unit cell angles | 90.00, 138.40, 90.00 |
Refinement procedure
Resolution | 39.606 - 1.500 |
Rwork | 0.155 |
R-free | 0.18290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4nq2 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.450 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0253) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.460 | 1.580 |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.079 | 0.160 |
Number of reflections | 65271 | 9533 |
<I/σ(I)> | 13.7 | |
Completeness [%] | 99.6 | 100 |
Redundancy | 5.2 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M magnesium formate dihydrate, 25% PEG 3350 |