4TZ9
Structure of Metallo-beta-lactamase
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-02-10 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9793 |
Spacegroup name | I 4 2 2 |
Unit cell lengths | 120.908, 120.908, 90.190 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 2.189 - 2.127 |
R-factor | 0.2307 |
Rwork | 0.229 |
R-free | 0.24850 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3zr9 |
Data reduction software | HKL-2000 (v701c3) |
Data scaling software | HKL-2000 (v701c3) |
Phasing software | PHASER (2.5.3) |
Refinement software | PHENIX (2.5.3) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.370 | 2.180 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.217 | 0.683 |
Number of reflections | 18919 | |
<I/σ(I)> | 6.12 | 1.5 |
Completeness [%] | 91.6 | 88.3 |
Redundancy | 6.5 | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.008M CdCl2, NiCl2, MgCl2, CoCl2 0.1 HEPES pH 7.5 14% PEG 3350 |