6S74

Crystal structure of CARM1 in complex with inhibitor UM305

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID30B
Synchrotron site	ESRF
Beamline	ID30B
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-04-27
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976
Spacegroup name	P 21 21 2
Unit cell lengths	75.393, 99.029, 207.952
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.168 - 2.100
R-factor	0.1935
Rwork	0.192
R-free	0.21560
Data reduction software	XDS
Data scaling software	Aimless (0.5.26)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.170	48.170	2.140
High resolution limit [Å]	2.100	10.710	2.100
Rmerge	0.064	0.025	0.496
Rmeas	0.073	0.029	0.568
Rpim	0.034	0.014	0.269
Total number of observations	302969	2434	16836
Number of reflections	80206	652	4644
<I/σ(I)>	11.6	31.2	2.2
Completeness [%]	87.8	80.9	90.1
Redundancy	3.8	3.7	3.6
CC(1/2)	0.999	0.999	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1 M Bis-tris propane, 0.02 M sodium phosphate, 22 % (w/v) PEG 3350