4U7P

Crystal structure of DNMT3A-DNMT3L complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.2816
Spacegroup name	P 63 2 2
Unit cell lengths	252.031, 252.031, 75.336
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.005 - 3.821
R-factor	0.2285
Rwork	0.224
R-free	0.26880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2qrv 3a1a
RMSD bond length	0.006
RMSD bond angle	0.977
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.9_1692))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.960
High resolution limit [Å]	3.820	8.220	3.820
Rmerge	0.098	0.044	0.870
Rmeas	0.108	0.049	0.958
Rpim	0.046	0.021	0.397
Total number of observations	80080
Number of reflections	14153
<I/σ(I)>	6.9
Completeness [%]	99.9	99.2	99.9
Redundancy	5.7	5.2	5.8
CC(1/2)		0.996	0.688

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	291	0.05M Bis-Tris, 0.1M Sodium Malonate, 8% PEG3350