7XUA

Structure of G9a in complex with compound 10a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-06-06
Detector	ADSC QUANTUM 315
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	56.552, 77.844, 70.094
Unit cell angles	90.00, 91.74, 90.00

Refinement procedure

Resolution	34.020 - 1.870
R-factor	0.1891
Rwork	0.187
R-free	0.22440
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3rjw
RMSD bond length	0.007
RMSD bond angle	0.975
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	1.940
High resolution limit [Å]	1.870	1.870
Number of reflections	49368	4528
<I/σ(I)>	18.6	2
Completeness [%]	98.8
Redundancy	7.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.1M Bis-Tris propane (pH7.5), 0.2M Sodium Formate, 10% Ethylene Glycol, 23.5% PEG3350