6S7C

Crystal structure of CARM1 in complex with inhibitor UM079

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)	0.9762
Spacegroup name	P 21 21 2
Unit cell lengths	74.697, 98.629, 207.438
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.860 - 2.300
R-factor	0.2072
Rwork	0.206
R-free	0.23320
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]	56.620	56.620	2.350
High resolution limit [Å]	2.300	10.790	2.300
Rmerge	0.075	0.034	0.741
Rmeas	0.086	0.039	0.855
Rpim	0.041	0.019	0.412
Total number of observations	279649
Number of reflections	66343	717	4477
<I/σ(I)>	11.8
Completeness [%]	96.7	93.2	98.2
Redundancy	4.2	4	4.2
CC(1/2)	0.998	0.998	0.684

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, 21 % (w/v) PEG 3350