7SFC

Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Inhibitor GSK3735967A

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	2019-10-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.000000
Spacegroup name	C 1 2 1
Unit cell lengths	161.733, 78.897, 117.335
Unit cell angles	90.00, 125.64, 90.00

Refinement procedure

Resolution	35.350 - 1.970
R-factor	0.1771
Rwork	0.176
R-free	0.20800
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6x9j
RMSD bond length	0.005
RMSD bond angle	0.755
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]	35.350	2.060
High resolution limit [Å]	1.970	1.970
Rmerge	0.139	1.469
Rpim	0.060	0.758
Number of reflections	80823	8006
<I/σ(I)>	15.8	1.6
Completeness [%]	98.7	98.2
Redundancy	6.1
CC(1/2)		0.442

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)