3RHA
The crystal structure of Oxidoreductase from Arthrobacter aurescens
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 | 2010-10-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.644, 117.905, 165.858 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.986 - 2.052 |
| R-factor | 0.1594 |
| Rwork | 0.158 |
| R-free | 0.19510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2c27 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.932 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.113 | 0.421 |
| Number of reflections | 77476 | |
| <I/σ(I)> | 2.3 | 3.3 |
| Completeness [%] | 99.7 | 97.5 |
| Redundancy | 11.7 | 9.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 1.8 M ammonium citrate pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
