6VDB

SETD2 in complex with a H3-variant super-substrate peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	60.370, 76.520, 77.610
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.650 - 2.300
R-factor	0.214
Rwork	0.212
R-free	0.26300
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	5jlb
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	REFMAC
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.650	47.650	2.380
High resolution limit [Å]	2.300	8.900	2.300
Rmerge	0.142	0.048	1.216
Rmeas	0.153	0.053	1.312
Number of reflections	16627	341	1612
<I/σ(I)>	10.5	33	1.7
Completeness [%]	100.0
Redundancy	7	5.8	7.1
CC(1/2)	0.997	0.998	0.664

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M KSCN, 0.1 M Tris-HCl pH 8.5, and 26% PEG 3350
1	VAPOR DIFFUSION, HANGING DROP		291	0.2 M KSCN, 0.1 M Tris-HCl pH 8.5, and 26% PEG 3350