7SFD
Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3543105A
This is a non-PDB format compatible entry.
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 | 2018-10-22 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 161.598, 77.416, 116.514 |
Unit cell angles | 90.00, 125.76, 90.00 |
Refinement procedure
Resolution | 41.810 - 2.090 |
R-factor | 0.186 |
Rwork | 0.185 |
R-free | 0.21590 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 6x9j |
RMSD bond length | 0.005 |
RMSD bond angle | 0.732 |
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] | 41.810 | 2.160 |
High resolution limit [Å] | 2.090 | 2.090 |
Rmerge | 0.109 | 1.106 |
Rpim | 0.066 | 0.817 |
Number of reflections | 130375 | 11962 |
<I/σ(I)> | 12 | 1.1 |
Completeness [%] | 96.4 | 89 |
Redundancy | 3.5 | |
CC(1/2) | 0.298 |
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) |