3DWV
Glutathione peroxidase-type tryparedoxin peroxidase, oxidized form
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-4 |
Synchrotron site | ESRF |
Beamline | ID14-4 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-06-11 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.9393 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 42.810, 105.864, 42.738 |
Unit cell angles | 90.00, 100.48, 90.00 |
Refinement procedure
Resolution | 30.000 - 1.410 |
R-factor | 0.128 |
Rwork | 0.116 |
R-free | 0.17640 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gs3 |
RMSD bond length | 0.011 |
RMSD bond angle | 0.030 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | SHELX |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.430 |
High resolution limit [Å] | 1.410 | 1.410 |
Rmerge | 0.058 | 0.473 |
Number of reflections | 71308 | |
<I/σ(I)> | 14.9 | 2.1 |
Completeness [%] | 99.2 | 96.8 |
Redundancy | 2.6 | 2.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 277 | 2M ammonium sulphate, 0.1M sodium acetate, 1mM EDTA, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K |