5VSF

Structure of human GLP SET-domain (EHMT1) in complex with inhibitor 17

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	2017-03-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	74.851, 96.088, 102.101
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.962 - 1.700
R-factor	0.1617
Rwork	0.161
R-free	0.18530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3hna
RMSD bond length	0.007
RMSD bond angle	1.096
Data scaling software	SCALA (3.3.22)
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	19.960	19.962	1.790
High resolution limit [Å]	1.700	5.380	1.700
Rmerge		0.038	0.628
Rmeas	0.082	0.041	0.682
Rpim	0.031	0.016	0.262
Total number of observations	519519
Number of reflections	78227		11424
<I/σ(I)>	15.5	15.6	1.2
Completeness [%]	96.1	96.6	97.3
Redundancy	6.6	6.5	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9	290	10 % PEG 20K, 1.4% v/v 1,4-Dioxane, 10% glycerol, 0 0.1 M Bicine, pH 9.0