7W28

Crystal Structure of SETD3-SAH in complex with betaA-4PyrAla73 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-22
Detector	DECTRIS PILATUS3 X 6M
Wavelength(s)	0.9788
Spacegroup name	C 1 2 1
Unit cell lengths	130.527, 43.413, 96.048
Unit cell angles	90.00, 101.46, 90.00

Refinement procedure

Resolution	38.590 - 1.790
R-factor	0.1762
Rwork	0.174
R-free	0.21150
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6mbj
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.790	4.880	1.800
Rmerge	0.122	0.098	0.566
Rmeas	0.138	0.111	0.631
Rpim	0.062	0.051	0.274
Number of reflections	49400	2562	2437
<I/σ(I)>	6
Completeness [%]	99.1	98.1	98.5
Redundancy	5.1	4.6	5.1
CC(1/2)		0.988	0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	289	30%(w/v) PEG4000, 0.1 M Tris base/Hydrochloric acid 8.5, 0.2M Lithium sulfate.