7A60
Crystal structure of VIM-2 with hydrolyzed faropenem (ring-open form)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-12 |
Detector | DECTRIS EIGER2 XE 16M |
Wavelength(s) | 0.88 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 102.179, 79.380, 67.332 |
Unit cell angles | 90.00, 130.38, 90.00 |
Refinement procedure
Resolution | 51.340 - 1.470 |
R-factor | 0.1638 |
Rwork | 0.163 |
R-free | 0.18870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4bz3 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.340 | 1.500 |
High resolution limit [Å] | 1.470 | 1.470 |
Rpim | 0.039 | 0.699 |
Number of reflections | 68197 | 3241 |
<I/σ(I)> | 9.2 | 1.1 |
Completeness [%] | 98.1 | |
Redundancy | 7 | |
CC(1/2) | 0.991 | 0.469 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 292 | 28% PEG3350, 0.1M Mg(HCO2)2 |