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 |