3A2V
Peroxiredoxin (C207S) from Aeropyrum pernix K1 complexed with hydrogen peroxide
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 |
| Spacegroup name | P 1 |
| Unit cell lengths | 76.208, 103.110, 104.396 |
| Unit cell angles | 106.02, 104.91, 92.97 |
Refinement procedure
| Resolution | 39.250 - 1.650 |
| R-factor | 0.19543 |
| Rwork | 0.194 |
| R-free | 0.22286 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.383 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.710 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.048 | 0.391 |
| Number of reflections | 329538 | |
| <I/σ(I)> | 10.4 | 1.4 |
| Completeness [%] | 94.1 | 93.9 |
| Redundancy | 2.1 | 2.1 |
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 |
