9G4A

Structure of human SETD2 T1663M mutant in complex with SAM and H3K36M peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-02-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.978565
Spacegroup name	P 21 21 21
Unit cell lengths	58.835, 76.633, 77.055
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.500 - 1.653
R-factor	0.1994
Rwork	0.197
R-free	0.24060
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.010
Data reduction software	autoPROC
Data scaling software	autoPROC (1.0.5)
Phasing software	PHASER
Refinement software	BUSTER (2.10.4)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.336	1.875
High resolution limit [Å]	1.653	1.653
Rmerge	0.098	1.218
Rmeas	0.102	1.266
Rpim	0.028	0.343
Number of reflections	18723	936
<I/σ(I)>	12.7	1.9
Completeness [%]	93.7	78.6
Redundancy	13.3	13.3
CC(1/2)	0.998	0.835

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	32% w/v PEG 4K, 100mM Tris, 800mM LiCl