4TZE
Structure of 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 | 2013-12-12 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9785 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.773, 59.216, 62.968 |
| Unit cell angles | 90.00, 92.19, 90.00 |
Refinement procedure
| Resolution | 34.070 - 1.574 |
| R-factor | 0.1963 |
| Rwork | 0.195 |
| R-free | 0.23430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3spu |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.006 |
| Data reduction software | HKL-2000 (v701c3) |
| Data scaling software | HKL-2000 (v701c3) |
| Phasing software | PHASER (2.5.3) |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.000 | 1.630 |
| High resolution limit [Å] | 1.570 | 1.570 |
| Rmerge | 0.087 | 0.332 |
| Number of reflections | 54576 | |
| <I/σ(I)> | 9.48 | 2.5 |
| Completeness [%] | 99.5 | 99.6 |
| Redundancy | 0.5 | 1.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | PEG 10000, 0.1 M HEPES pH 7.5 |
