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 |