5TUZ

Structure of human GLP SET-domain (EHMT1) in complex with inhibitor MS0124

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-04
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	74.940, 95.780, 102.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.021 - 1.950
R-factor	0.1634
Rwork	0.161
R-free	0.20060
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hna
RMSD bond length	0.008
RMSD bond angle	1.085
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	74.940	2.060
High resolution limit [Å]	1.950	1.950
Rmerge	0.146	0.655
Number of reflections	54301	7802
<I/σ(I)>	10.5	3.2
Completeness [%]	99.8	99.7
Redundancy	6.8	6.1
CC(1/2)	0.993	0.675

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9	290	20% PEG 20,000, 2% (v/v) 1,4-Dioxane, 0.1 M Bicine (pH 9.0)