6S79

Crystal structure of CARM1 in complex with inhibitor AA183

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-07-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976
Spacegroup name	P 21 21 2
Unit cell lengths	75.479, 99.196, 208.439
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.852 - 2.100
R-factor	0.2004
Rwork	0.199
R-free	0.23110
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless (0.5.32)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	104.230	104.230	2.140
High resolution limit [Å]	2.100	11.500	2.100
Rmerge	0.186	0.056	2.516
Rmeas	0.202	0.062	2.725
Rpim	0.078	0.026	1.040
Number of reflections	92162	672	4483
<I/σ(I)>	7.4
Completeness [%]	100.0	99.5	99.9
Redundancy	6.6	5.4	6.8
CC(1/2)	0.996	0.997	0.287

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Bis-tris propane, 0.2 M sodium formate, 20 % (w/v) PEG 3350