5CIU

Structural basis of the recognition of H3K36me3 by DNMT3B PWWP domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9801
Spacegroup name	P 32 2 1
Unit cell lengths	73.437, 73.437, 158.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.718 - 2.240
R-factor	0.2268
Rwork	0.224
R-free	0.25880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3qkj
RMSD bond length	0.009
RMSD bond angle	1.204
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER (2.5.2)
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000		2.370
High resolution limit [Å]	2.240	6.610	2.240
Rmerge	0.062	0.032	0.633
Rmeas	0.067	0.035	0.683
Total number of observations	168485
Number of reflections	24436	998	3816
<I/σ(I)>	18.44	37.58	2.95
Completeness [%]	99.5	94.1	98.6
Redundancy	6.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	298	1.6M SODIUM CITRATE TRIBASIC