7XAO
Crystal structure of thioredoxin 1
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 5C (4A) |
Synchrotron site | PAL/PLS |
Beamline | 5C (4A) |
Temperature [K] | 125 |
Detector technology | PIXEL |
Collection date | 2021-08-02 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 31.240, 31.270, 215.780 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.680 - 1.450 |
R-factor | 0.2475 |
Rwork | 0.246 |
R-free | 0.28330 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yn1 |
RMSD bond length | 0.006 |
RMSD bond angle | 0.837 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.17_3644) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 28.680 | 1.450 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.093 | 0.421 |
Number of reflections | 38852 | 3820 |
<I/σ(I)> | 17.59 | |
Completeness [%] | 99.8 | |
Redundancy | 12.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.7 | 293.15 | 0.1M SPG buffer/NaOH pH 5.7, 23% PEG 1500 |