7SFF
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3852279B
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-04-20 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.00000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 161.720, 78.237, 117.061 |
Unit cell angles | 90.00, 125.93, 90.00 |
Refinement procedure
Resolution | 38.750 - 2.050 |
R-factor | 0.1825 |
Rwork | 0.181 |
R-free | 0.21690 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6x9j |
RMSD bond length | 0.003 |
RMSD bond angle | 0.606 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.750 | 2.120 |
High resolution limit [Å] | 2.050 | 2.050 |
Rmerge | 0.084 | 0.558 |
Rpim | 0.039 | 0.395 |
Number of reflections | 71672 | 6373 |
<I/σ(I)> | 19.4 | 1.9 |
Completeness [%] | 97.2 | |
Redundancy | 5 | |
CC(1/2) | 0.591 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.1 | 292 | 14-18% polyethylene glycol (PEG) 3350, 0.1 M citric acid (pH 5.1) |