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% |
