3EMX
Crystal structure of thioredoxin from Aeropyrum pernix
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-09-11 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97958 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 52.229, 54.852, 159.342 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.250 |
R-factor | 0.198 |
Rwork | 0.195 |
R-free | 0.25400 |
Structure solution method | SAD |
RMSD bond length | 0.011 |
RMSD bond angle | 1.321 |
Data reduction software | DENZO |
Data scaling software | SCALA (3.2.25) |
Phasing software | SHELXCD |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.817 | 2.370 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.109 | 0.450 |
Total number of observations | 8131 | |
Number of reflections | 11236 | |
<I/σ(I)> | 16.5 | 3.8 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 9.2 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 294 | 100mM Hepes pH 7.5, 1.4M sodium tri-citrate, Vapor diffusion, temperature 294K |