6JAT

Crystal structure of SETD3 bound to Actin peptide and SFG

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-29
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	60.434, 131.282, 175.153
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.740 - 2.713
R-factor	0.2018
Rwork	0.200
R-free	0.24290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3smt
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.760
High resolution limit [Å]	2.700	6.650	2.700
Rmerge	0.162	0.066	0.855
Rmeas	0.172	0.071	0.907
Rpim	0.055	0.024	0.297
Total number of observations	370511
Number of reflections	38336	2761	2499
<I/σ(I)>	4.4
Completeness [%]	99.8	99.4	99.8
Redundancy	9.7	8.7	9.2
CC(1/2)		0.997	0.828

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	0.2 M HEPES/Sodium hydroxide, 0.2 M Ammonium sulfate, 20% PEG 8000, 10% 2-propanol