9CV2
Crystal structure of the metallo-beta-lactamase VIM-20 with D-captopril
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2023-03-18 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.000010 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 67.642, 77.318, 78.854 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.430 - 1.570 |
R-factor | 0.1674 |
Rwork | 0.167 |
R-free | 0.18110 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 0.906 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.21.2_5419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.430 | 1.630 |
High resolution limit [Å] | 1.570 | 1.570 |
Rmeas | 0.058 | 0.100 |
Rpim | 0.025 | 0.038 |
Number of reflections | 78569 | 3805 |
<I/σ(I)> | 13.13 | 18.7 |
Completeness [%] | 97.6 | 94.3 |
Redundancy | 6.7 | 1.4 |
CC(1/2) | 0.999 | 0.995 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M Magnesium Chloride, 0.1 M Tris:HCl, 25% (w/v) PEG 3350 |