8BA5

Crystal structure of the DNMT3A ADD domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-10-06
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9184
Spacegroup name	P 61 2 2
Unit cell lengths	57.800, 57.800, 138.560
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	22.000 - 1.450
R-factor	0.1876
Rwork	0.187
R-free	0.21290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3a1a
RMSD bond length	0.005
RMSD bond angle	0.805
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.080	1.540
High resolution limit [Å]	1.450	1.450
Number of reflections	45978	7353
<I/σ(I)>	17.62	1.24
Completeness [%]	99.8	99.1
Redundancy	20.7	20.86
CC(1/2)	1.000	0.670

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		291.15	17 % PEG 8000, 0.2 M Magnesiumsulfat, 0.1 M TRIS-HCl pH 7.5