6ARJ

Crystal structure of CARM1 with EPZ022302 and SAH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-27
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95370
Spacegroup name	P 21 21 2
Unit cell lengths	75.164, 98.802, 208.293
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.110 - 1.920
R-factor	0.177
Rwork	0.175
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.432
Data reduction software	Aimless (0.2.17)
Data scaling software	XSCALE
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.110	1.960
High resolution limit [Å]	1.920	1.920
Rmerge	0.082	0.774
Rmeas	0.089	0.836
Rpim	0.033	0.311
Number of reflections	118082	5603
<I/σ(I)>	13.3
Completeness [%]	99.8	97.2
Redundancy	7.3	7.1
CC(1/2)	0.999	0.820

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.2 M Ammonium Sulfate, 0.1 M Tris pH 8.5, 18% w/v PEG3350