4TZF
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 | 2014-02-10 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 40.936, 58.480, 84.838 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.419 - 1.220 |
| R-factor | 0.1526 |
| Rwork | 0.152 |
| R-free | 0.17780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3spu |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.400 |
| Data reduction software | XDS |
| 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] | 42.470 | 1.250 |
| High resolution limit [Å] | 1.220 | 1.220 |
| Rmerge | 0.065 | 0.660 |
| Number of reflections | 61432 | |
| <I/σ(I)> | 13.4 | 2.4 |
| Completeness [%] | 99.7 | 99.6 |
| Redundancy | 6.2 | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.1 M Bis Tris pH 5.5, 25% PEG 3350 |
