3IV4
A putative oxidoreductase with a thioredoxin fold
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 | CCD |
| Collection date | 2009-06-07 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97937 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 57.830, 33.078, 47.325 |
| Unit cell angles | 90.00, 102.71, 90.00 |
Refinement procedure
| Resolution | 46.180 - 1.500 |
| R-factor | 0.15436 |
| Rwork | 0.152 |
| R-free | 0.18988 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.271 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | REFMAC (5.5.0054) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.063 | 0.256 |
| Number of reflections | 14118 | |
| <I/σ(I)> | 51 | 7.64 |
| Completeness [%] | 99.5 | 99.5 |
| Redundancy | 6.9 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 291 | 0.2M MgCl2, 25% PEG3350, 1/10 V8, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
