4UWP
Penta Zn1 coordination. Leu224 in VIM-26 from Klebsiella pneumoniae has implications for drug binding.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-09-18 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.694, 68.134, 40.343 |
| Unit cell angles | 90.00, 92.60, 90.00 |
Refinement procedure
| Resolution | 22.051 - 1.700 |
| R-factor | 0.1556 |
| Rwork | 0.153 |
| R-free | 0.19400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2y8b |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.260 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.080 | 0.480 |
| Number of reflections | 22488 | |
| <I/σ(I)> | 11.3 | 2.2 |
| Completeness [%] | 95.1 | 89.7 |
| Redundancy | 2.9 | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 9.5 | 21% POLYETHYLENE GLYCOL MONOMETHYL ETHERS (PEG MME) 5K, 0.1 M CHES BUFFER AT PH 9.5, 0.1 M MAGNESIUM FORMATE, 4% GLYCEROL |
