8TE1

Crystal structure of the methyltransferase domain of R882H/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	2021-10-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97648
Spacegroup name	P 3
Unit cell lengths	177.829, 177.829, 110.920
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.060 - 2.480
R-factor	0.1929
Rwork	0.193
R-free	0.22570
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yx2
Data reduction software	HKL-3000
Data scaling software	HKL-3000
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	2.570
High resolution limit [Å]	2.480	5.340	2.480
Rmerge	0.155	0.045	1.930
Rmeas	0.170	0.050	2.129
Rpim	0.071	0.021	0.896
Total number of observations	803976
Number of reflections	138899	13898	13907
<I/σ(I)>	4.1
Completeness [%]	100.0	100	100
Redundancy	5.8	5.8	5.6
CC(1/2)		0.999	0.302

Crystallization Conditions

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