3KD0
Human thioredoxin C35S,C62S,C69S,C73S mutant showing cadmium chloride bound to the active site
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2007-03-18 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 53.635, 53.635, 154.148 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 23.220 - 1.700 |
| R-factor | 0.23431 |
| Rwork | 0.232 |
| R-free | 0.27903 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ert |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.959 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 26.900 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.118 | 0.550 |
| Number of reflections | 15248 | |
| <I/σ(I)> | 29.9 | 4.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 18.1 | 19.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 292 | 0.16M Cadmium Chloride, 2.0M ammonium sulphate, pH 7.4, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
