5VT3
High resolution 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 | 2017-04-14 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.931, 100.758, 126.880 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.565 - 1.980 |
| R-factor | 0.1541 |
| Rwork | 0.152 |
| R-free | 0.19750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5usx |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.363 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (dev_2650) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.565 | 2.010 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Rmerge | 0.080 | 0.677 |
| Number of reflections | 55371 | 2444 |
| <I/σ(I)> | 21.55 | 2 |
| Completeness [%] | 98.7 | 87.3 |
| Redundancy | 6 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 12 mM POTASSIUM CHLORIDE, 80 mM Potassium Chloride, 40 MM SODIUM CACODYLATE, 40% MPD, 12 MM SPERMIDINE TETRAHYDROCHLORIDE |
