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)