6U90

Crystal structure of DNMT3B(N779A)-DNMT3L in complex with CpGpT DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-05-09
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	P 31
Unit cell lengths	191.506, 191.506, 49.597
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.877 - 3.001
R-factor	0.2213620728
Rwork	0.219
R-free	0.25895
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yx2
RMSD bond length	0.003
RMSD bond angle	0.522
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]	47.877	3.110
High resolution limit [Å]	3.000	3.000
Rmerge	0.141	0.984
Number of reflections	40636	4056
<I/σ(I)>	8.52
Completeness [%]	99.6
Redundancy	4.3
CC(1/2)	0.995	0.858

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