6S7B

Crystal structure of CARM1 in complex with inhibitor UM249

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-04
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9795
Spacegroup name	P 21 21 2
Unit cell lengths	75.455, 99.367, 208.463
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	57.740 - 2.659
R-factor	0.1955
Rwork	0.194
R-free	0.22670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2y1x
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	57.740	57.740	2.668
High resolution limit [Å]	2.659	12.343	2.659
Rmerge	0.210	0.058	1.052
Rmeas	0.229	0.064	1.146
Rpim	0.090	0.027	0.450
Number of reflections	45903	536	437
<I/σ(I)>	10.1
Completeness [%]	99.9	98.3	98
Redundancy	6.4	5.5	6.4
CC(1/2)	0.994	0.999	0.781

Crystallization Conditions

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