6NW0
Crystal Structure Desulfovibrio desulfuricans Nickel-Substituted Rubredoxin
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 | C 1 2 1 |
| Unit cell lengths | 53.290, 51.436, 39.697 |
| Unit cell angles | 90.00, 128.00, 90.00 |
Refinement procedure
| Resolution | 32.530 - 1.850 |
| R-factor | 0.1655 |
| Rwork | 0.163 |
| R-free | 0.22170 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6rxn |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.642 |
| 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 | 1.880 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.082 | 0.133 |
| Rmeas | 0.102 | 0.163 |
| Number of reflections | 7302 | 311 |
| <I/σ(I)> | 12.61 | 8.38 |
| Completeness [%] | 91.9 | 94 |
| Redundancy | 2.5 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 298 | 3.5 M ammonium sulfate, 0.1 M MES, 1.1% v/v MPD |
