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 |
