3OQB
CRYSTAL STRUCTURE OF putative oxidoreductase from Bradyrhizobium japonicum USDA 110
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X29A |
| Synchrotron site | NSLS |
| Beamline | X29A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-15 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9791 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 93.705, 163.853, 117.726 |
| Unit cell angles | 90.00, 103.85, 90.00 |
Refinement procedure
| Resolution | 19.990 - 2.600 |
| R-factor | 0.1959 |
| Rwork | 0.193 |
| R-free | 0.24710 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.258 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SHELX |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 7.050 | 2.600 |
| Rmerge | 0.108 | 0.038 | 0.861 |
| Number of reflections | 209402 | ||
| <I/σ(I)> | 7.6 | ||
| Completeness [%] | 99.8 | 99.6 | 99.8 |
| Redundancy | 2.7 | 2.9 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.2 M K/Na tartrate, 20% PEG 3350, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
