2ZC1
Organophosphorus Hydrolase from Deinococcus radiodurans
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-D |
| Synchrotron site | APS |
| Beamline | 14-BM-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-12-27 |
| Detector | ADSC Q4 CCD |
| Wavelength(s) | 0.9198,0.9195, 0.9093 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 60.843, 60.843, 207.694 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.182 |
| Rwork | 0.182 |
| R-free | 0.21200 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.590 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE (2.01) |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.061 | 0.525 |
| Number of reflections | 270178 | |
| <I/σ(I)> | 23.6 | 2 |
| Completeness [%] | 99.2 | 92.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 4.6 | 296 | 20mM Calcium Chloride, 100mM Sodium Acetate, 31% 2-methyl-2,4-pentanediol, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 296K |
