7XUD

Structure of G9a in complex with compound 26a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL26B2
Synchrotron site	SPring-8
Beamline	BL26B2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-11-07
Detector	RAYONIX MX-225
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	56.596, 77.451, 66.797
Unit cell angles	90.00, 90.50, 90.00

Refinement procedure

Resolution	28.650 - 1.450
R-factor	0.1615
Rwork	0.161
R-free	0.17690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7xua
RMSD bond length	0.006
RMSD bond angle	0.863
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158+SVN)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.480
High resolution limit [Å]	1.450	1.450
Rmeas	0.076	0.778
Rpim	0.038	0.409
Number of reflections	101819	5025
<I/σ(I)>	17.1	1.9
Completeness [%]	99.9
Redundancy	3.8
CC(1/2)		0.724

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M Bis-Tris propane (pH7.5), 0.2M Sodium Fluoride, 10% Ethylene Glycol, 22% PEG3350