7LZB

Crystal Structure of SETD2 bound to Compound 2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CMOS
Collection date	2016-09-30
Detector	RDI CMOS_8M
Wavelength(s)	0.97776
Spacegroup name	P 21 21 21
Unit cell lengths	51.545, 76.751, 77.775
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.630 - 2.280
R-factor	0.2081
Rwork	0.205
R-free	0.26360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jle
RMSD bond length	0.010
RMSD bond angle	1.414
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.630	2.340
High resolution limit [Å]	2.280	2.281
Rmerge	0.106	0.806
Number of reflections	13698	1377
<I/σ(I)>	13.9
Completeness [%]	99.7
Redundancy	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1 M Potassium thiocyanate, 0.1M Tris pH 7.8, 25% w/v PEG 2000 MME