8PGS
Crystal structure of the metallo-beta-lactamase VIM1 with 3380
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-07-03 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97965 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.470, 67.950, 40.260 |
| Unit cell angles | 90.00, 93.78, 90.00 |
Refinement procedure
| Resolution | 29.100 - 1.240 |
| R-factor | 0.1232 |
| Rwork | 0.122 |
| R-free | 0.14180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.344 |
| Data reduction software | xia2 |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.380 | 1.270 |
| High resolution limit [Å] | 1.240 | 1.240 |
| Rmerge | 0.031 | 0.287 |
| Rmeas | 0.033 | 0.325 |
| Rpim | 0.013 | 0.148 |
| Number of reflections | 59078 | 3669 |
| <I/σ(I)> | 24.6 | 4.1 |
| Completeness [%] | 98.4 | 82.6 |
| Redundancy | 6.5 | 4.5 |
| CC(1/2) | 1.000 | 0.922 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 2.2M ammonium phosphate 0.1M TrisHCl, pH 8.5 |
