4POL
Crystal structures of thioredoxin with mesna at 2.8A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-05-24 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9774 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 85.478, 57.923, 94.902 |
| Unit cell angles | 90.00, 90.34, 90.00 |
Refinement procedure
| Resolution | 47.950 - 2.800 |
| R-factor | 0.24794 |
| Rwork | 0.245 |
| R-free | 0.31232 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4po4 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.885 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.000 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.095 | 0.396 |
| Number of reflections | 11124 | |
| <I/σ(I)> | 8.5 | 2.2 |
| Completeness [%] | 96.1 | 92.1 |
| Redundancy | 2.9 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 20% PEG3350, 0.2 M KCl, 60 mg/mL Trx protein, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
