5USX
Crystal structure of thioredoxin-disulfide reductase from Vibrio vulnificus CMCP6 in complex with NADP and FAD
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-11-30 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 0.97857 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.626, 98.302, 119.879 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.120 - 2.603 |
R-factor | 0.1893 |
Rwork | 0.187 |
R-free | 0.23280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cl0 |
RMSD bond length | 0.002 |
RMSD bond angle | 0.592 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX (dev_2614) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.081 | |
Number of reflections | 24042 | |
<I/σ(I)> | 17 | |
Completeness [%] | 99.1 | |
Redundancy | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6 | 289 | 80 mM potassium chloride, 40 mM sodium cacodylate, 55% MPD, 12 mM spermidine tetrahydrochloride |