6MWS
crystal structure of the reduced Grx1 from Saccharomyces cerevisiae
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
Synchrotron site | Australian Synchrotron |
Beamline | MX2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-03-31 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.953654 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 41.364, 51.779, 57.193 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.380 - 1.220 |
R-factor | 0.1494 |
Rwork | 0.148 |
R-free | 0.17150 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.430 |
Data reduction software | XDS |
Data scaling software | Aimless (0.5.29) |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.360 | 1.240 |
High resolution limit [Å] | 1.220 | 1.220 |
Rmerge | 0.053 | 0.319 |
Rmeas | 0.056 | 0.337 |
Rpim | 0.015 | 0.107 |
Number of reflections | 37323 | 1777 |
<I/σ(I)> | 19.4 | |
Completeness [%] | 99.9 | 98.3 |
Redundancy | 12.7 | 9.6 |
CC(1/2) | 0.999 | 0.969 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 0.23 M Lithium sulfate monohydrate, 0.1 M Bis-Tris, pH 5.8, 26% (w/v) PEG 3350 |