2AYT
The crystal structure of a protein disulfide oxidoreductase from aquifex aeolicus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ELETTRA BEAMLINE 5.2R |
Synchrotron site | ELETTRA |
Beamline | 5.2R |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-05-19 |
Detector | MARRESEARCH |
Wavelength(s) | 1.0000 |
Spacegroup name | H 3 2 |
Unit cell lengths | 161.100, 161.100, 153.100 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 20.000 - 2.400 |
Rwork | 0.179 |
R-free | 0.21800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1a8l |
RMSD bond length | 0.006 |
RMSD bond angle | 1.240 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNS |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.490 |
High resolution limit [Å] | 2.400 | 2.400 |
Number of reflections | 29372 | |
<I/σ(I)> | 13.9 | 2.6 |
Completeness [%] | 98.3 | 88.5 |
Redundancy | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | Ammonium sulfate, sodium chloride, HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |