6U91

Crystal structure of DNMT3B(Q772R)-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	2018-03-07
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	P 31
Unit cell lengths	190.344, 190.344, 49.644
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.586 - 3.000
R-factor	0.216782524271
Rwork	0.215
R-free	0.25910
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yx2
RMSD bond length	0.004
RMSD bond angle	0.653
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]	47.590	3.110
High resolution limit [Å]	3.000	3.000
Rmerge		1.360
Number of reflections	40256	4048
<I/σ(I)>	6.76
Completeness [%]	99.7	98.1
Redundancy	8.2	6.8
CC(1/2)	0.990	0.704

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