6U8V

Crystal structure of DNMT3B-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	2017-10-24
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	P 31
Unit cell lengths	193.761, 193.761, 49.757
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.548 - 3.000
R-factor	0.219078298012
Rwork	0.218
R-free	0.24885
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yx2
RMSD bond length	0.005
RMSD bond angle	0.650
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.110
High resolution limit [Å]	2.997	6.460	3.000
Rmerge	0.107	0.044	0.694
Rmeas	0.119	0.049	0.777
Rpim	0.053	0.022	0.348
Number of reflections	41890	4185	4244
<I/σ(I)>	6.2
Completeness [%]	100.0	99.9	100
Redundancy	5	5.1	4.9
CC(1/2)		0.998	0.919

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