5VSC

Structure of human G9a SET-domain (EHMT2) 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 1 21 1
Unit cell lengths	56.440, 78.430, 73.060
Unit cell angles	90.00, 90.96, 90.00

Refinement procedure

Resolution	39.048 - 1.400
R-factor	0.1658
Rwork	0.165
R-free	0.18170
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k5k
RMSD bond length	0.006
RMSD bond angle	1.056
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]	73.050	39.048	1.480
High resolution limit [Å]	1.400	4.430	1.400
Rmerge		0.048	0.408
Rmeas	0.067	0.052	0.448
Rpim	0.026	0.020	0.182
Total number of observations	779510
Number of reflections	119728
<I/σ(I)>	12.4	11.6	1.8
Completeness [%]	95.9	94.9	84.7
Redundancy	6.5	6.6	5.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	290	20 % PEG3350, 10% glycerol, 0.2 M Sodium bromide