3S7J
Structural Basis of Substrate Methylation and Inhibition of SMYD2
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-12-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.2805 |
| Spacegroup name | I 4 |
| Unit cell lengths | 154.565, 154.565, 53.180 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.880 - 3.040 |
| R-factor | 0.1944 |
| Rwork | 0.194 |
| R-free | 0.20970 |
| Structure solution method | SAD |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.250 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | SHARP |
| Refinement software | BUSTER (2.9.3) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 109.390 | 3.340 |
| High resolution limit [Å] | 3.040 | 3.040 |
| Rmerge | 0.104 | 0.502 |
| Number of reflections | 12111 | |
| <I/σ(I)> | 25.1 | 4.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 16.5 | 11.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 20% PEG 3350, 0.1 M Tris-HCl, 5% ethanol, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
