6NW1
Crystal Structure Desulfovibrio desulfuricans Nickel-Substituted Rubredoxin V37N
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-10-17 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 |
| Unit cell lengths | 23.718, 25.401, 29.084 |
| Unit cell angles | 111.50, 94.43, 97.52 |
Refinement procedure
| Resolution | 26.810 - 1.860 |
| R-factor | 0.12586 |
| Rwork | 0.123 |
| R-free | 0.18778 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6rxn |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.550 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.890 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.053 | |
| Rmeas | 0.062 | |
| Number of reflections | 5223 | 230 |
| <I/σ(I)> | 23.36 | 16.52 |
| Completeness [%] | 90.0 | 90.6 |
| Redundancy | 3.7 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 298 | 1.9 M ammonium sulfate, 0.1 M ammonium fluoride |
