6PFZ
Structure of a NAD-Dependent Persulfide Reductase from A. fulgidus
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 | CCD |
| Collection date | 2016-05-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.976, 100.355, 136.196 |
| Unit cell angles | 90.00, 91.89, 90.00 |
Refinement procedure
| Resolution | 39.482 - 3.100 |
| R-factor | 0.203188436559 |
| Rwork | 0.202 |
| R-free | 0.22875 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4fx9 |
| RMSD bond length | 0.024 |
| RMSD bond angle | 1.987 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | BALBES |
| Refinement software | PHENIX (1.10_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.270 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Number of reflections | 80127 | 6083 |
| <I/σ(I)> | 10.3 | 2.6 |
| Completeness [%] | 99.7 | |
| Redundancy | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 100-200 mM calcium acetate, 15-20% PEG 3350 (w/w), and 1 mM DTT |
