5VSD

Structure of human GLP SET-domain (EHMT1) in complex with inhibitor 13

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	74.864, 96.594, 102.478
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.906 - 1.850
R-factor	0.194
Rwork	0.192
R-free	0.23530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5tuz
RMSD bond length	0.007
RMSD bond angle	1.154
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]	19.910	19.906	1.950
High resolution limit [Å]	1.850	5.850	1.850
Rmerge		0.049	0.520
Rmeas	0.102	0.052	0.545
Rpim	0.031	0.016	0.163
Total number of observations	678018	21690	101062
Number of reflections	62905
<I/σ(I)>	18	39.1	4.1
Completeness [%]	98.2	97.2	99.5
Redundancy	10.8	10.1	11

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	9	290	7 % PEG 20K, 1.4% v/v 1,4-Dioxane, 10% glycerol, 0.07 M Bicine, pH 9.0