4FSB
Crystal structure of the metallo-beta-lactamase VIM-31 in its oxidized form at 1.88 A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | ENRAF-NONIUS FR591 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2012-01-01 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 67.020, 80.130, 77.639 |
| Unit cell angles | 90.00, 91.71, 90.00 |
Refinement procedure
| Resolution | 40.060 - 1.880 |
| R-factor | 0.14985 |
| Rwork | 0.147 |
| R-free | 0.19478 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ko3 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.077 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 40.060 | 40.060 | 1.960 |
| High resolution limit [Å] | 1.860 | 5.890 | 1.860 |
| Rmerge | 0.030 | 0.157 | |
| Number of reflections | 33380 | ||
| <I/σ(I)> | 20 | 35.8 | 7.7 |
| Completeness [%] | 97.2 | 99.6 | 81.9 |
| Redundancy | 3.8 | 3.9 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 8.5 | 296 | VIM-31 (12 mg/ml) 1:1 dilution with the condition 0.2 M lithium sulphate, 0.1 M Tris-HCl pH 8.5, 30 % PEG 4000, VAPOR DIFFUSION, temperature 296K |
