5TTF

Crystal structure of catalytic domain of G9a with MS012

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
Unit cell lengths	56.846, 67.749, 77.845
Unit cell angles	92.09, 90.05, 91.80

Refinement procedure

Resolution	50.010 - 1.720
R-factor	0.207
Rwork	0.207
R-free	0.24730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k5k
RMSD bond length	0.011
RMSD bond angle	1.488
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	REFMAC (5.8.0155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.750
High resolution limit [Å]	1.720	4.670	1.720
Rmerge	0.075	0.050	0.550
Rmeas	0.090
Rpim	0.049
Total number of observations	372722
Number of reflections	119007
<I/σ(I)>	9.4
Completeness [%]	96.4	97.3	83.5
Redundancy	3.1	3.1	2.5
CC(1/2)		0.996	0.820

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