3PDN
Crystal structure of SmyD3 in complex with methyltransferase inhibitor sinefungin
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-D |
| Synchrotron site | APS |
| Beamline | 21-ID-D |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-10-21 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.27823, 1.28268 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 61.240, 66.246, 107.384 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.450 - 1.700 |
| R-factor | 0.1571 |
| Rwork | 0.155 |
| R-free | 0.18930 |
| Structure solution method | MAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 0.930 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | SOLVE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.760 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.089 | 0.519 |
| Number of reflections | 48766 | |
| <I/σ(I)> | 9.2 | 3 |
| Completeness [%] | 99.7 | 98.1 |
| Redundancy | 6.9 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 13% PEG 3350, 50 mM Na Formate, 100 mM Tris, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
