4C1E
Crystal structure of the metallo-beta-lactamase VIM-2 with D-captopril
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-10-17 |
| Detector | RIGAKU CCD |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 103.921, 79.034, 67.229 |
| Unit cell angles | 90.00, 131.63, 90.00 |
Refinement procedure
| Resolution | 31.210 - 1.399 |
| R-factor | 0.1324 |
| Rwork | 0.132 |
| R-free | 0.16720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ko3 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.420 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.450 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmerge | 0.100 | 0.350 |
| Number of reflections | 78943 | |
| <I/σ(I)> | 10.7 | 2 |
| Completeness [%] | 98.7 | 95.3 |
| Redundancy | 2.7 | 1.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 0.2 M MAGNESIUM FORMATE, 20 % W/V PEG3350, 1 MM TCEP. |
