5TUY

Structure of human G9a SET-domain (EHMT2) 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 1 21 1
Unit cell lengths	56.970, 82.300, 73.740
Unit cell angles	90.00, 89.97, 90.00

Refinement procedure

Resolution	56.970 - 2.600
R-factor	0.1745
Rwork	0.171
R-free	0.23390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k5k
RMSD bond length	0.012
RMSD bond angle	1.216
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	73.740	2.740
High resolution limit [Å]	2.600	2.600
Number of reflections	21095	3083
<I/σ(I)>	4.9
Completeness [%]	100.0
Redundancy	3.9	3.9
CC(1/2)	0.595	0.968

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	6.5	290	20% (w/v) PEG 3,350, 0.2 M NaF, 0.1 M Bis-Tris propane (pH 6.5)