3F4D
Crystal structure of organophosphorus hydrolase from Geobacillus stearothermophilus strain 10
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-10-21 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.166, 156.734, 50.209 |
| Unit cell angles | 90.00, 116.21, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.360 |
| R-factor | 0.17 |
| Rwork | 0.170 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2zc1 |
| RMSD bond length | 1.500 |
| RMSD bond angle | 0.009 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.440 |
| High resolution limit [Å] | 2.360 | 2.360 |
| Rmerge | 0.056 | 0.226 |
| Number of reflections | 25559 | |
| <I/σ(I)> | 24.5 | 4.1 |
| Completeness [%] | 96.4 | 79.2 |
| Redundancy | 3.2 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 295 | 0.25 M Ammonium acetate, 0.2 M Sodium citrate, 30% w/v PEG 4000. Cryoprotectant: 0.3 M Ammonium acetate, 0.2 M Sodium citrate pH 5.0, 20% PEG 4000, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
