3ITJ
Crystal structure of Saccharomyces cerevisiae thioredoxin reductase 1 (Trr1)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | LNLS BEAMLINE D03B-MX1 |
| Synchrotron site | LNLS |
| Beamline | D03B-MX1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2004-11-05 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.431 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 127.975, 135.411, 75.819 |
| Unit cell angles | 90.00, 89.95, 90.00 |
Refinement procedure
| Resolution | 50.000 - 2.400 |
| R-factor | 0.17053 |
| Rwork | 0.169 |
| R-free | 0.19356 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vdc |
| RMSD bond length | 0.024 |
| RMSD bond angle | 2.253 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.462 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 46488 | |
| <I/σ(I)> | 17.6 | 4.4 |
| Completeness [%] | 97.0 | 99.3 |
| Redundancy | 6.1 | 6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4 | 293 | 2.7 M Sodium citrate pH 4.0, 12% PEG 3000, 0.1 M Trimethylamine hydrochloride. Drop volume of 6.0 ml, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
