9BKT
Crystal structure of rubredoxin from Pyrococcus furiosus reconstituted with FeSO4 solved by Fe/S-SAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-002 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-08-17 |
Detector | DECTRIS PILATUS 200K |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 33.828, 34.507, 43.302 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.990 - 1.800 |
R-factor | 0.1382 |
Rwork | 0.135 |
R-free | 0.16620 |
Structure solution method | SAD |
RMSD bond length | 0.007 |
RMSD bond angle | 0.882 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | AutoSol |
Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.038 | 0.063 |
Number of reflections | 8697 | 181 |
<I/σ(I)> | 75.56 | |
Completeness [%] | 97.1 | |
Redundancy | 10.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 0.1M tris pH 8.4 2.2 M ammonium sulfate 30% MPD |