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 |