5Y4T
Crystal structure of Trx domain of Grx3 from Saccharomyces cerevisiae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-03-04 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 77.329, 77.329, 37.113 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 34.580 - 1.400 |
R-factor | 0.19004 |
Rwork | 0.189 |
R-free | 0.21907 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3d6i |
RMSD bond length | 0.030 |
RMSD bond angle | 2.409 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.440 |
High resolution limit [Å] | 1.400 | 1.403 |
Rmerge | 0.046 | |
Number of reflections | 22509 | |
<I/σ(I)> | 40 | 2.8 |
Completeness [%] | 99.6 | 96.44 |
Redundancy | 6.9 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 289.15 | 0.1 M Tris-HCl, pH 8.0, 2 M Ammonium sulfate |