3S7F
Structural Basis of Substrate Methylation and Inhibition of SMYD2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-1 |
Synchrotron site | ESRF |
Beamline | ID23-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-07-26 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 1.0000 |
Spacegroup name | I 4 |
Unit cell lengths | 156.413, 156.413, 52.895 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.720 - 2.850 |
R-factor | 0.1733 |
Rwork | 0.172 |
R-free | 0.20070 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.120 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | BUSTER (2.9.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 110.600 | 3.000 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.066 | |
Number of reflections | 15184 | |
<I/σ(I)> | 15.4 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 4 |
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 |