3DTY
Crystal structure of an Oxidoreductase from Pseudomonas syringae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X12C |
| Synchrotron site | NSLS |
| Beamline | X12C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-29 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.9788 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 94.281, 80.930, 110.544 |
| Unit cell angles | 90.00, 93.63, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.040 |
| R-factor | 0.1925 |
| Rwork | 0.193 |
| R-free | 0.21770 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | SHELX (& SHARP) |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.110 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.129 | 0.456 |
| Number of reflections | 104600 | |
| <I/σ(I)> | 8.9 | |
| Completeness [%] | 98.4 | 94.8 |
| Redundancy | 6.1 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | PEG 3350, HEPES, MgCl2 and KCl, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
