6U8P

Crystal structure of DNMT3B-DNMT3L in complex with CpGpA 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	2018-11-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9774
Spacegroup name	P 31
Unit cell lengths	193.303, 193.303, 49.649
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.326 - 3.050
R-factor	0.209463676788
Rwork	0.208
R-free	0.23911
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5yx2
RMSD bond length	0.004
RMSD bond angle	0.631
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	3.160
High resolution limit [Å]	3.043	6.570	3.050
Rmerge	0.130	0.041	0.833
Rmeas	0.149	0.046	0.963
Rpim	0.071	0.021	0.477
Number of reflections	39794	4004	3958
<I/σ(I)>	4.5
Completeness [%]	100.0	100	100
Redundancy	4.3	4.6	4
CC(1/2)		0.999	0.838

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	289.15	0.1 M Tris-HCl (pH 8.0), 100 mM MgCl2, 7% PEG8000