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 |
