8RZU

Structure of human SETD2 L1609P 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	2019-04-26
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97857
Spacegroup name	P 21 21 21
Unit cell lengths	59.718, 77.408, 77.884
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.420 - 2.190
R-factor	0.2235
Rwork	0.221
R-free	0.26440
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.007
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.283	2.223
High resolution limit [Å]	2.186	2.186
Rmerge	0.075	1.215
Rmeas	0.078	1.262
Rpim	0.021	0.337
Number of reflections	19287	961
<I/σ(I)>	19.3	2.2
Completeness [%]	100.0
Redundancy	13.4
CC(1/2)	0.999	0.911

Crystallization Conditions

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