1KO2
VIM-2, a Zn-beta-lactamase from Pseudomonas aeruginosa with an oxidized Cys (cysteinesulfonic)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-01-01 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.97929 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 67.180, 78.030, 80.130 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.450 - 2.200 |
| Rwork | 0.209 |
| R-free | 0.25100 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB-ENTRY 1BVT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 25.000 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.850 |
| High resolution limit [Å] | 2.200 * | 2.200 * |
| Rmerge | 0.070 * | 0.190 * |
| Number of reflections | 10623 * | |
| Completeness [%] | 96.0 * | 87.8 * |
| Redundancy | 3.3 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 20 * | 30% PEG8K, 0.2M Na acetate, 0.1M NaCac./Cac.acid, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 5.5 (mg/ml) | |
| 2 | 1 | drop | HEPES | 10 (mM) | pH7.5 |
| 3 | 1 | drop | 0.2 (M) | ||
| 4 | 1 | drop | dithiothreitol | 1 (mM) | |
| 5 | 1 | reservoir | PEG8000 | 30 (%) | |
| 6 | 1 | reservoir | sodium acetate | 0.2 (M) | |
| 7 | 1 | reservoir | sodium cacodylate | 0.1 (M) | pH6.5 |
| 8 | 1 | reservoir | 10000 (nM) |
