6S70

Crystal structure of CARM1 in complex with inhibitor UM251

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	74.684, 98.677, 207.100
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.230 - 2.300
R-factor	0.1862
Rwork	0.185
R-free	0.21150
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]	57.230	57.230	2.350
High resolution limit [Å]	2.300	6.538	2.300
Rmerge	0.065	0.022	0.546
Rmeas	0.074	0.025	0.625
Rpim	0.034	0.012	0.295
Total number of observations	276271
Number of reflections	66028	705	4361
<I/σ(I)>	13.8
Completeness [%]	96.2	90	95.8
Redundancy	4.2	3.8	4
CC(1/2)	0.999	0.999	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.1 M Bis-tris propane, 0.2 M sodium acetate, 24 % (w/v) PEG 3350