6YUH
Crystal structure of SMYD3 with diperodon R enantiomer bound to allosteric site
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-10-02 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.8 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.142, 66.284, 105.949 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 52.300 - 1.930 |
R-factor | 0.1883 |
Rwork | 0.186 |
R-free | 0.22950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mek |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 105.950 | 1.980 |
High resolution limit [Å] | 1.930 | 1.930 |
Rmerge | 0.192 | 1.788 |
Rmeas | 0.203 | |
Number of reflections | 32606 | 2145 |
<I/σ(I)> | 9.99 | 1.6 |
Completeness [%] | 100.0 | 100 |
Redundancy | 9.3 | 9.7 |
CC(1/2) | 0.996 | 0.515 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.25 | 293 | Tris buffer 0.1 M, pH 8.25 Magnesium acetate 0.1 M PEG3350 16% |