3IWA
Crystal structure of a FAD-dependent pyridine nucleotide-disulphide oxidoreductase from Desulfovibrio vulgaris
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-08-18 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97958 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 127.564, 127.564, 157.713 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 2.300 |
| R-factor | 0.21 |
| Rwork | 0.208 |
| R-free | 0.24300 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.485 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.9) |
| Phasing software | SHELXCD |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.090 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.103 | 0.373 |
| Number of reflections | 22081 | |
| <I/σ(I)> | 12.2 | 4.8 |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 7.3 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.5 | 294 | 100mM sodium cacodylate pH 5.5, 8% PEG 8K, 200mM calcium acetate, vapor diffusion, temperature 294K |
