3A2W
Peroxiredoxin (C50S) from Aeropytum pernix K1 (peroxide-bound form)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 1 |
| Unit cell lengths | 76.262, 103.326, 104.554 |
| Unit cell angles | 105.72, 105.08, 92.63 |
Refinement procedure
| Resolution | 49.450 - 2.300 |
| R-factor | 0.202 |
| Rwork | 0.202 |
| R-free | 0.24900 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.300 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | CNS (1.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.091 | 0.348 |
| Number of reflections | 122484 | |
| <I/σ(I)> | 12.9 | 2.2 |
| Completeness [%] | 94.8 | 91.1 |
| Redundancy | 1.8 | 1.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 0.1M HEPES-NaOH, 0.8M potassium sodium tartrate, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
