4TYF
Structure of a Metallo-beta-lactamase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-07-12 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 41.700, 59.080, 42.000 |
| Unit cell angles | 90.00, 97.61, 90.00 |
Refinement procedure
| Resolution | 41.330 - 1.100 |
| R-factor | 0.1515 |
| Rwork | 0.150 |
| R-free | 0.17350 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3spu |
| Data reduction software | XDS |
| Phasing software | PHASER (2.5.3) |
| Refinement software | PHENIX (1.8.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.330 | 1.130 |
| High resolution limit [Å] | 1.100 | 1.100 |
| Rmerge | 0.676 | |
| Number of reflections | 80791 | |
| <I/σ(I)> | 13.8 | 1.8 |
| Completeness [%] | 98.8 | 96.4 |
| Redundancy | 4.3 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 10% PEG 1000 w/v, 10% PEG 8000 w/v |
