6S71

Crystal structure of CARM1 in complex with inhibitor WH5C

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	2017-04-12
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.976
Spacegroup name	P 21 21 2
Unit cell lengths	74.720, 98.630, 206.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	103.180 - 2.062
R-factor	0.1862
Rwork	0.186
R-free	0.20990
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	103.180	103.180	2.097
High resolution limit [Å]	2.062	5.596	2.062
Rmerge	0.058	0.038	0.538
Rmeas	0.067	0.044	0.634
Rpim	0.033	0.022	0.325
Total number of observations	342936	15654	15243
Number of reflections	91634	4605	4501
<I/σ(I)>	11.8	26.9	2.1
Completeness [%]	96.7	90.8	96.5
Redundancy	3.7	3.4	3.4
CC(1/2)	0.999	0.998	0.780

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, 20 % (w/v) PEG 3350