3RVA
Crystal structure of organophosphorus acid anhydrolase from Alteromonas macleodii
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 | CCD |
| Collection date | 2010-10-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 133.770, 49.190, 97.340 |
| Unit cell angles | 90.00, 125.03, 90.00 |
Refinement procedure
| Resolution | 40.000 - 1.800 |
| R-factor | 0.1563 |
| Rwork | 0.156 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3l24 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.337 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.6.0111) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.088 | 0.698 |
| Number of reflections | 48066 | |
| <I/σ(I)> | 16.65 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 4.4 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.2 | 291 | 0.056 M Sodium phosphate monobasic monohydrate, 1.344 M Potassium phosphate dibasic, pH 8.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
