1X0R
Thioredoxin Peroxidase from Aeropyrum pernix K1
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL38B1 |
Synchrotron site | SPring-8 |
Beamline | BL38B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-09-28 |
Detector | RIGAKU JUPITER 210 |
Wavelength(s) | 0.984 |
Spacegroup name | P 1 |
Unit cell lengths | 75.633, 101.792, 102.886 |
Unit cell angles | 105.37, 105.28, 93.32 |
Refinement procedure
Resolution | 29.890 - 2.000 |
R-factor | 0.164 |
Rwork | 0.164 |
R-free | 0.17100 |
Structure solution method | MAD |
RMSD bond length | 0.046 |
RMSD bond angle | 3.400 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | SOLVE |
Refinement software | CNS (1.0) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.084 | 0.188 |
Number of reflections | 191063 | |
<I/σ(I)> | 8.7 | |
Completeness [%] | 95.7 | 86.1 |
Redundancy | 2.98 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | imidazole-HCl, sodium acetate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |