7T7M

Structure of human GLP SET-domain (EHMT1) in complex with covalent inhibitor (Compound 1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97920
Spacegroup name	P 21 21 21
Unit cell lengths	95.490, 128.730, 132.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.690 - 2.850
R-factor	0.201
Rwork	0.199
R-free	0.24400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tuz
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.22)
Phasing software	MOLREP
Refinement software	PHENIX (1.13_2998)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	92.330	3.000
High resolution limit [Å]	2.850	2.850
Rmerge		0.950
Number of reflections	38903	38841
<I/σ(I)>	11.4	0.7
Completeness [%]	100.0	100
Redundancy	7.9	8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		290.15	0.2 Magnesium Formate, 15% w/v Polyethylene glycol 3350