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 |