7SFG

Human DNMT1(729-1600) Bound to Zebularine-Containing 12mer dsDNA and Cofactor SAM

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	2018-12-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.00000
Spacegroup name	C 1 2 1
Unit cell lengths	161.776, 77.476, 116.709
Unit cell angles	90.00, 125.67, 90.00

Refinement procedure

Resolution	41.850 - 2.430
R-factor	0.1816
Rwork	0.180
R-free	0.22290
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	6x9i
RMSD bond length	0.005
RMSD bond angle	0.769
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]	41.850	2.540
High resolution limit [Å]	2.430	2.430
Rmerge	0.112	0.660
Rpim	0.066	0.464
Number of reflections	43229	4231
<I/σ(I)>	12.4	2.1
Completeness [%]	99.5
Redundancy	3.7
CC(1/2)		0.661

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)