4WUY
Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-06-02 |
| Detector | RAYONIX MX-225 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 89.025, 99.920, 60.297 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.700 - 1.630 |
| R-factor | 0.1536 |
| Rwork | 0.151 |
| R-free | 0.20013 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.004 |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 19.700 |
| High resolution limit [Å] | 1.630 |
| Number of reflections | 66084 |
| <I/σ(I)> | 9.3 |
| Completeness [%] | 97.8 |
| Redundancy | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 9 | 281 | 100 mM Tris HCl pH 8.6, 14% PEG 20K and 200 mM Sodium Chloride |
