8PAH
Crystal structure of the metallo-beta-lactamase VIM1 with 2596
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 | 2019-02-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.580, 68.110, 40.330 |
| Unit cell angles | 90.00, 93.42, 90.00 |
Refinement procedure
| Resolution | 34.180 - 1.100 |
| R-factor | 0.1209 |
| Rwork | 0.120 |
| R-free | 0.13080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.313 |
| 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] | 39.510 | 1.130 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.044 | 0.151 |
| Rmeas | 0.048 | 0.173 |
| Rpim | 0.019 | 0.083 |
| Number of reflections | 85324 | 5395 |
| <I/σ(I)> | 21.2 | 6.1 |
| Completeness [%] | 98.8 | 85.5 |
| Redundancy | 6.1 | 4 |
| CC(1/2) | 0.999 | 0.979 |
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 |
