8TE3

Crystal structure of the methyltransferase domain of R882C/R676K 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	2021-10-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97648
Spacegroup name	P 3
Unit cell lengths	177.298, 177.298, 110.736
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.960 - 3.200
R-factor	0.2083
Rwork	0.207
R-free	0.24130
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	3.310
High resolution limit [Å]	3.200	6.890	3.200
Rmerge	0.292	0.066	1.285
Rmeas	0.334	0.076	1.471
Rpim	0.161	0.036	0.712
Total number of observations	273938
Number of reflections	64344	6448	6431
<I/σ(I)>	2.5
Completeness [%]	100.0	100	100
Redundancy	4.3	4.3	4.2
CC(1/2)		0.997	0.317

Crystallization Conditions

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