4AR6
X-ray crystallographic structure of the reduced form perdeuterated Pyrococcus furiosus rubredoxin at 295 K (in quartz capillary) to 0.92 Angstroms resolution.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 295 |
| Detector technology | PIXEL |
| Collection date | 2011-07-07 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.375, 35.183, 43.944 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.465 - 0.920 |
| R-factor | 0.1288 |
| Rwork | 0.129 |
| R-free | 0.13610 |
| Structure solution method | OTHER |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.247 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.940 | 0.970 |
| High resolution limit [Å] | 0.920 | 0.920 |
| Rmerge | 0.030 | 0.560 |
| Number of reflections | 37464 | |
| <I/σ(I)> | 21.4 | 2.1 |
| Completeness [%] | 99.2 | 94.8 |
| Redundancy | 6.06 | 4.22 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.2 | pH 6.2 |
