6U8W

Crystal structure of DNMT3B(K777A)-DNMT3L in complex with CpGpT DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9774
Spacegroup name	P 31
Unit cell lengths	193.506, 193.506, 49.869
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.377 - 2.949
R-factor	0.216714672433
Rwork	0.216
R-free	0.23632
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yx2
RMSD bond length	0.004
RMSD bond angle	0.685
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.12_2829)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.380	3.050
High resolution limit [Å]	2.949	2.950
Rmerge	0.097	0.733
Number of reflections	43944	4333
<I/σ(I)>	7.91	1.34
Completeness [%]	99.7
Redundancy	3.4	3.3
CC(1/2)	0.997	0.782

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	277.15	0.1 M Tris-HCl (pH 8.0), 200 mM MgCl2, 8% PEG 4000