4POK
Crystal structures of thioredoxin with mesna at 2.5A resolution
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-08-09 |
| Detector | MAR scanner 300 mm plate |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 124.516, 91.098, 57.676 |
| Unit cell angles | 90.00, 108.17, 90.00 |
Refinement procedure
| Resolution | 48.290 - 2.520 |
| R-factor | 0.23848 |
| Rwork | 0.235 |
| R-free | 0.29575 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hxk |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.122 |
| 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 | 2.610 |
| High resolution limit [Å] | 2.500 | 2.510 |
| Rmerge | 0.081 | 0.538 |
| Number of reflections | 20751 | |
| <I/σ(I)> | 13.8 | 2.4 |
| Completeness [%] | 99.5 | 99.8 |
| Redundancy | 3.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 20% ethanol, 0.1 M Tris, 60 mg/mL Trx protein, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
