3RU0
Cocrystal structure of human SMYD3 with inhibitor Sinefungin bound
Experimental procedure
Experimental method | MAD |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-07-22 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.28146, 1.24294 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 58.175, 118.073, 82.901 |
Unit cell angles | 90.00, 91.58, 90.00 |
Refinement procedure
Resolution | 21.832 - 1.849 |
Rwork | 0.200 |
R-free | 0.21600 |
Structure solution method | MAD |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Refinement software | REFMAC |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 21.832 |
High resolution limit [Å] | 1.849 |
Rmerge | 0.063 |
Number of reflections | 94957 |
<I/σ(I)> | 18.4 |
Completeness [%] | 99.8 |
Redundancy | 7.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 0.75ul of protein 10mg/mL and 1mM Sinefungin in 25mM TrisHCl pH7.6, 150mM NaCl, 1mM TCEP and 0.75uL reservoir solution: 100mM HEPES pH 7.5, 16% PEG 3350, 200mM Magnesium Chloride , VAPOR DIFFUSION, HANGING DROP, temperature 294K |