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 |