6AU3
Crystal structure of SETDB1 Tudor domain with aryl triazole fragments
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-08-14 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.97934 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.172, 63.528, 69.987 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.040 - 1.800 |
R-factor | 0.1791 |
Rwork | 0.179 |
R-free | 0.19030 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.011 |
RMSD bond angle | 1.473 |
Data reduction software | HKL-3000 |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.830 |
High resolution limit [Å] | 1.800 | 4.880 | 1.800 |
Rmerge | 0.065 | 0.034 | 0.941 |
Rmeas | 0.068 | 0.037 | |
Rpim | 0.025 | 0.014 | 0.362 |
Number of reflections | 23527 | 1303 | 1149 |
<I/σ(I)> | 10.3 | ||
Completeness [%] | 100.0 | 99.2 | 100 |
Redundancy | 7.5 | 6.9 | 7.6 |
CC(1/2) | 0.999 | 0.741 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 25% PEG3350, 0.2M LiSO4, 0.1M Bis-Tris pH 6.5 |