1NSW
The Crystal Structure of the K18G Mutant of the 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 |
| Collection date | 1999-09-20 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.9072 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.730, 73.890, 54.910 |
| Unit cell angles | 90.00, 103.79, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.900 |
| R-factor | 0.237 |
| Rwork | 0.205 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2trx |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.640 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.030 * | 0.115 * |
| Total number of observations | 120205 * | |
| Number of reflections | 26803 * | |
| <I/σ(I)> | 25.5 | 7.09 |
| Completeness [%] | 93.6 | 95.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 22 * | Hepes, PEG 8000, Calcium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
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) |
