8TE4

Crystal structure of the methyltransferase domain of R882H/N879A DNMT3A homotetramer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2021-05-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97648
Spacegroup name	P 3
Unit cell lengths	178.068, 178.068, 109.909
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.760 - 2.650
R-factor	0.2033
Rwork	0.203
R-free	0.23650
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yx2
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.740
High resolution limit [Å]	2.650	5.710	2.650
Rmerge	0.155	0.038	1.562
Rmeas	0.172	0.041	1.734
Rpim	0.073	0.017	0.750
Total number of observations	621954
Number of reflections	113612	11387	11348
<I/σ(I)>	7
Completeness [%]	100.0	100	100
Redundancy	5.5	5.7	5.3
CC(1/2)		0.999	0.345

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.2-0.4 M potassium sodium tartrate