8PG3
Crystal structure of the metallo-beta-lactamase VIM1 with 2729
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 | 2019-04-19 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.520, 67.960, 40.340 |
| Unit cell angles | 90.00, 93.78, 90.00 |
Refinement procedure
| Resolution | 34.630 - 1.260 |
| R-factor | 0.1415 |
| Rwork | 0.141 |
| R-free | 0.15360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.257 |
| 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] | 34.630 | 1.290 |
| High resolution limit [Å] | 1.260 | 1.260 |
| Rmerge | 0.043 | 0.540 |
| Rmeas | 0.047 | 0.610 |
| Rpim | 0.018 | 0.277 |
| Number of reflections | 56182 | 3321 |
| <I/σ(I)> | 19.7 | 2.6 |
| Completeness [%] | 97.9 | 79.2 |
| Redundancy | 6.5 | 4.6 |
| CC(1/2) | 1.000 | 0.850 |
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 |
