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 |
