8U00
Crystal structure of metallo-beta-lactamase superfamily protein from Caulobacter vibrioides
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 19-ID |
| Synchrotron site | NSLS-II |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-07-25 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.97949 |
| Spacegroup name | P 42 |
| Unit cell lengths | 85.341, 85.341, 78.844 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.100 - 1.850 |
| R-factor | 0.1903 |
| Rwork | 0.189 |
| R-free | 0.22520 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.793 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.083 | 0.644 |
| Rmeas | 0.087 | 0.681 |
| Rpim | 0.024 | 0.208 |
| Number of reflections | 47880 | 2008 |
| <I/σ(I)> | 34.3 | 1.01 |
| Completeness [%] | 98.8 | 84.1 |
| Redundancy | 12.6 | 7.6 |
| CC(1/2) | 0.995 | 0.861 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.2 M sodium acetate, 0.1 M sodium cacodylate, pH 6.5, 18 % w/v PEG8000 |
