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 |
