1VGN
Structure-based design of the irreversible inhibitors to metallo--lactamase (IMP-1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS V |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 49.987, 53.314, 196.344 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.550 - 2.630 |
| Rwork | 0.228 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ddk |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.200 |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.720 |
| High resolution limit [Å] | 2.630 | 2.630 |
| Rmerge | 0.050 | 0.198 |
| Number of reflections | 16104 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | PEG MME2000, (NH3)2SO4, CH3COONa, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
