4PVT
Crystal Structure of VIM-2 metallo-beta-lactamase in complex with ML302F
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-10-01 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 102.391, 78.909, 67.742 |
| Unit cell angles | 90.00, 130.32, 90.00 |
Refinement procedure
| Resolution | 24.930 - 2.000 |
| Rwork | 0.166 |
| R-free | 0.21890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pvo |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.209 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER (2.5.5) |
| Refinement software | PHENIX ((phenix.refine: 1.8.4-1496)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 4.310 | 2.000 |
| Rmerge | 0.175 | 0.095 | 0.521 |
| Number of reflections | 27185 | ||
| <I/σ(I)> | 6.848 | 10.8 | 2.5 |
| Completeness [%] | 98.0 | 98.9 | 96.4 |
| Redundancy | 3.6 | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1mM TCEP, 1mM ML302F, 50mM HEPES pH 7.5, 100mM NaCl, 0.1mM ZnCl2, 0.1M magnesium formate, 23% PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
