5V9I

Crystal structure of catalytic domain of G9a with MS0105

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2014-08-21
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97915
Spacegroup name	P 1 21 1
Unit cell lengths	56.607, 77.509, 134.794
Unit cell angles	90.00, 91.41, 90.00

Refinement procedure

Resolution	25.480 - 1.740
R-factor	0.234
Rwork	0.234
R-free	0.27500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2o8j
RMSD bond length	0.010
RMSD bond angle	0.960
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.770
High resolution limit [Å]	1.740	4.720	1.740
Rmerge	0.102	0.066	0.596
Rmeas	0.121	0.078	0.705
Rpim	0.064	0.041	0.374
Number of reflections	119624
<I/σ(I)>	6.2
Completeness [%]	99.7	98.8	100
Redundancy	3.6	3.5	3.5
CC(1/2)		0.995	0.875

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	25% PEG 3350, 0.2 M NaCl, 0.1 M Bis-Tris pH6.5