3A2X
Peroxiredoxin (C50S) from Aeropyrum pernix K1 (acetate-bound form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 |
| Unit cell lengths | 75.825, 102.918, 104.143 |
| Unit cell angles | 105.99, 105.12, 92.80 |
Refinement procedure
| Resolution | 95.780 - 1.900 |
| R-factor | 0.19762 |
| Rwork | 0.195 |
| R-free | 0.24302 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.751 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 200.000 | 1.970 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.071 | 0.362 |
| Number of reflections | 214677 | |
| <I/σ(I)> | 6.7 | 1.4 |
| Completeness [%] | 93.8 | 91.1 |
| Redundancy | 1.9 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1M imidazole-HCl, 1M sodium acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
