3HHV
The crystal structure of the Thioredoxin A2 from Sulfolobus solfataricus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-07-17 |
| Detector | RIGAKU SATURN 944 |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 28.272, 27.882, 62.060 |
| Unit cell angles | 90.00, 92.34, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.830 |
| R-factor | 0.199 |
| Rwork | 0.196 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fb6 |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.500 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.900 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.058 | 0.176 |
| Number of reflections | 8660 | |
| <I/σ(I)> | 29.8 | |
| Completeness [%] | 98.8 | 96.5 |
| Redundancy | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 18-22% PEG3350, 0.2 M ammonium iodide, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
