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 |
