3GU2
Y97L/G100-/E101- mutant in organophosphorus hydrolase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Collection date | 2008-12-05 |
| Wavelength(s) | 1 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 61.072, 61.072, 204.578 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.000 |
| Rwork | 0.221 |
| R-free | 0.28400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 1.570 |
| RMSD bond angle | 0.010 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.112 | 0.456 |
| Number of reflections | 29030 | |
| Completeness [%] | 93.0 | 92.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 1.0 M succinic acid, pH 7.0, 0.5% PEG 5000, VAPOR DIFFUSION, HANGING DROP, temperature 289K |
