3F8R
Crystal structure of Sulfolobus solfataricus Thioredoxin reductase B3 in complex with two NADP molecules
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-12-08 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.9756 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 76.871, 123.425, 127.435 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.950 |
| R-factor | 0.217 |
| Rwork | 0.208 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3f8p |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.020 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Rmerge | 0.053 | 0.339 |
| Number of reflections | 80365 | |
| Completeness [%] | 89.9 | 73.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.5 | 293 | 12-15% (w/v) poly-ethylene glycol 2000 monomethyl ether (PEG mmE 2000), 0.1M (NH4)2SO4, 50 mM sodium acetate (pH 4.6), Protein 4-9 mg/ml, protein/NADP=1/100, VAPOR DIFFUSION, temperature 293K |
