5CPR
The novel SUV4-20 inhibitor A-196 verifies a role for epigenetics in genomic integrity
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-04-01 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.209, 47.913, 129.072 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 38.470 - 2.220 |
R-factor | 0.1929 |
Rwork | 0.190 |
R-free | 0.24860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3s8p |
RMSD bond length | 0.010 |
RMSD bond angle | 1.140 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.6) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.913 | 2.225 |
High resolution limit [Å] | 2.217 | 2.217 |
Rmerge | 0.097 | 1.018 |
Number of reflections | 13537 | |
<I/σ(I)> | 15.7 | 2.2 |
Completeness [%] | 99.6 | 95.6 |
Redundancy | 5.8 | 5.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | The purified protein was concentrated to 10 mg/mL and with 1 mM SAM. SAM bound protein crystals were obtained by hanging drop vapor diffusion method at 17C using 10% (w/v) ethanol, 5% (w/v) glycerol, 0.1 M tris pH 8.5 as the well solution. A-196 was soaked into the crystals |