4POM
Crystal structures of thioredoxin with mesna at 1.85A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-08 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.9787 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 44.536, 91.776, 57.100 |
| Unit cell angles | 90.00, 105.36, 90.00 |
Refinement procedure
| Resolution | 36.110 - 1.850 |
| R-factor | 0.21512 |
| Rwork | 0.213 |
| R-free | 0.26141 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4pok |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.371 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0072) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.920 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.064 | 0.595 |
| Number of reflections | 37414 | |
| <I/σ(I)> | 19.4 | 2.3 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 28% PEG3350, 0.2M KCl, 160 mg/mL Trx protein, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
