4UWS
VIM-26-PEG. 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 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 39.759, 68.172, 40.406 |
Unit cell angles | 90.00, 92.56, 90.00 |
Refinement procedure
Resolution | 22.072 - 1.660 |
R-factor | 0.1583 |
Rwork | 0.156 |
R-free | 0.20000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2y8b |
RMSD bond length | 0.013 |
RMSD bond angle | 1.301 |
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] | 40.000 | 1.750 |
High resolution limit [Å] | 1.660 | 1.660 |
Rmerge | 0.040 | 0.410 |
Number of reflections | 24661 | |
<I/σ(I)> | 18.6 | 2.3 |
Completeness [%] | 96.8 | 81.1 |
Redundancy | 3.6 | 2.6 |
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 AND 4% GLYCEROL |