8Q5P

Structure of the lysine methyltransferase SETD2 in complex with a peptide derived from human tyrosine kinase ACK1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-03-12
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9801
Spacegroup name	P 21 21 21
Unit cell lengths	60.940, 76.330, 77.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.560 - 1.814
R-factor	0.2178
Rwork	0.216
R-free	0.24560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.950
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.520	1.879
High resolution limit [Å]	1.814	1.814
Rmerge	0.061	1.180
Rmeas	0.064	1.229
Rpim	0.018	0.338
Number of reflections	33159	3091
<I/σ(I)>	21.58	1.77
Completeness [%]	99.4	94.23
Redundancy	13.2	12.7
CC(1/2)	0.999	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1M TRIS pH 8.5, 16%w/v PEG 10000