7EV5
Crystal structure of BLEG-1 B3 metallo-beta-lactamase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-07-19 |
| Detector | RIGAKU |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 55.356, 55.356, 143.094 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.260 - 1.440 |
| R-factor | 0.1856 |
| Rwork | 0.184 |
| R-free | 0.20850 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xf4 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.804 |
| Data reduction software | HKL-3000 (v714n) |
| Data scaling software | HKL-3000 (v714n) |
| Phasing software | PHENIX (1.16_3549-000) |
| Refinement software | PHENIX (1.16_3549-000) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.460 |
| High resolution limit [Å] | 1.440 | 1.440 |
| Rmerge | 0.045 | 0.254 |
| Number of reflections | 40528 | 1991 |
| <I/σ(I)> | 28.5 | 4 |
| Completeness [%] | 98.0 | 97.9 |
| Redundancy | 5.1 | 3.1 |
| CC(1/2) | 0.899 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | NaI, PEG 3350 |
