3KD9
Crystal structure of pyridine nucleotide disulfide oxidoreductase from Pyrococcus horikoshii
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 | 2009-10-14 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.9290 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 114.810, 114.810, 353.917 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.310 - 2.750 |
| R-factor | 0.244 |
| Rwork | 0.244 |
| R-free | 0.28400 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.500 |
| 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 | 2.800 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.090 | 0.600 |
| Number of reflections | 62345 | |
| <I/σ(I)> | 7.1 | 3 |
| Completeness [%] | 99.3 | 97.3 |
| Redundancy | 34.2 | 33.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 277 | 45% MPD, 200mM Ammonium Acetate, 100mM Bis-Tris (pH 5.5), VAPOR DIFFUSION, SITTING DROP, temperature 277K |
