3OC4
Crystal Structure of a pyridine nucleotide-disulfide family oxidoreductase from the Enterococcus faecalis V583
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 | 2010-07-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.979 |
| Spacegroup name | I 4 2 2 |
| Unit cell lengths | 213.693, 213.693, 149.259 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.130 - 2.600 |
| R-factor | 0.22 |
| Rwork | 0.220 |
| R-free | 0.25100 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHELXD |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.680 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.093 | 0.470 |
| Number of reflections | 53067 | |
| <I/σ(I)> | 14.1 | 2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12 | 12 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 2M Sodium Formate 0.1M Sodium Acetate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
