1NW2
The crystal structure of the mutant R82E of Thioredoxin from Alicyclobacillus acidocaldarius
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE X11 |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | X11 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9072 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 79.610, 60.210, 82.950 |
| Unit cell angles | 90.00, 93.30, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.228 |
| Rwork | 0.212 |
| R-free | 0.25500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2trx |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.560 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.051 * | 0.262 * |
| Total number of observations | 234705 * | |
| Number of reflections | 52158 | |
| <I/σ(I)> | 20.1 | 4.3 |
| Completeness [%] | 84.1 | 85.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 22 * | Peg 8000, calcium acetate, CACODYLATE, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 16 (mg/ml) | |
| 2 | 1 | reservoir | HEPES | 0.1 (M) | pH8. |
| 3 | 1 | reservoir | PEG8000 | 25 (%) | |
| 4 | 1 | reservoir | calcium acetate | 0.2 (M) |
