7XUC

Structure of G9a in complex with compound 11a

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU FR-X
Temperature [K]	100
Detector technology	PIXEL
Collection date	2013-12-24
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 1 21 1
Unit cell lengths	56.572, 77.620, 66.573
Unit cell angles	90.00, 90.64, 90.00

Refinement procedure

Resolution	17.550 - 1.670
R-factor	0.1599
Rwork	0.159
R-free	0.18600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7xua
RMSD bond length	0.007
RMSD bond angle	0.841
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	1.700
High resolution limit [Å]	1.670	1.670
Rmeas	0.070	0.472
Rpim	0.038	0.311
Number of reflections	65265	3021
<I/σ(I)>	14.5	2
Completeness [%]	97.9	91.6
Redundancy	2.7	1.9
CC(1/2)		0.754

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, 25% PEG3350