4ZWP
Crystal structure of organophosphate anhydrolase/prolidase mutant Y212F
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2014-11-08 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 1 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 104.493, 68.179, 142.479 |
Unit cell angles | 90.00, 110.50, 90.00 |
Refinement procedure
Resolution | 48.936 - 2.397 |
R-factor | 0.1756 |
Rwork | 0.173 |
R-free | 0.22590 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4zwo |
RMSD bond length | 0.007 |
RMSD bond angle | 0.956 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.397 |
Rmerge | 0.075 |
Number of reflections | 37080 |
<I/σ(I)> | 10.7 |
Completeness [%] | 98.5 |
Redundancy | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 4% PEG 4,000, 20% Isopropanol, 11 mM BaCl2, 790 uM mipafox |