6S7A

Crystal structure of CARM1 in complex with inhibitor AA175

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)	0.9760
Spacegroup name	P 21 21 2
Unit cell lengths	74.784, 98.624, 207.137
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	71.422 - 1.860
R-factor	0.2004
Rwork	0.199
R-free	0.21990
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]	71.422	71.422	1.890
High resolution limit [Å]	1.860	10.190	1.860
Rmerge	0.095	0.054	1.829
Rmeas	0.103	0.060	2.032
Rpim	0.040	0.025	0.876
Number of reflections	129298	931	6329
<I/σ(I)>	9.1
Completeness [%]	100.0	100	100
Redundancy	6.6	5.6	5.3
CC(1/2)	0.998	0.994	0.393

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