4NQ2
Structure of Zn(II)-bound metallo-beta-lactamse VIM-2 from Pseudomonas aeruginosa
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 4.2.2 |
Synchrotron site | ALS |
Beamline | 4.2.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-03 |
Detector | Taurus-1 CMOS |
Wavelength(s) | 1.0000 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 68.294, 78.266, 79.767 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 55.866 - 1.550 |
R-factor | 0.1781 |
Rwork | 0.176 |
R-free | 0.20930 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ko3 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.049 |
Data reduction software | XDS |
Data scaling software | SCALEPACK |
Phasing software | PHENIX (dev_1523) |
Refinement software | PHENIX ((phenix.refine: dev_1523)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 55.870 | 1.630 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.447 | |
Number of reflections | 31324 | |
<I/σ(I)> | 4 | |
Completeness [%] | 99.8 | 99.2 |
Redundancy | 7.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 298 | 25% PEG 3350, 0.2M ammonium acetate, 0.0001M zinc chloride, 0.1M tris, pH 7.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |