7W29

Crystal Structure of SETD3-SAH in complex with betaA-Orn73 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-30
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	60.467, 77.668, 112.054
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.710 - 2.900
R-factor	0.2412
Rwork	0.237
R-free	0.27920
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	2.950
High resolution limit [Å]	2.900	7.860	2.900
Rmerge	0.239	0.080	0.552
Rmeas	0.269	0.096	0.617
Rpim	0.120	0.051	0.272
Total number of observations	59662
Number of reflections	11695	623	592
<I/σ(I)>	2.9
Completeness [%]	95.4	89.4	100
Redundancy	5.1	3.5	4.9
CC(1/2)		0.989	0.772

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	289	20%(w/v) PEG6000, 0.1M Bicine/Sodium hydroxide 9.0