7LZF

Crystal Structure of SETD2 bound to Compound 57

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.953722
Spacegroup name	P 21 21 21
Unit cell lengths	49.910, 76.648, 76.186
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.690 - 2.470
R-factor	0.2181
Rwork	0.216
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jle
RMSD bond length	0.003
RMSD bond angle	1.235
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.820	2.570
High resolution limit [Å]	2.470	2.470
Rmerge	0.073	0.640
Number of reflections	10278	715
<I/σ(I)>	15.9	2.6
Completeness [%]	99.6
Redundancy	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Potassium thiocyanate, 0.1 M Tris pH 7.5, 18% w/v PEG 2000 MME