6S77

Crystal structure of CARM1 N265Y mutant in complex with inhibitor AA183

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE MASSIF-1
Synchrotron site	ESRF
Beamline	MASSIF-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-21
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.980
Spacegroup name	P 21 21 2
Unit cell lengths	74.988, 98.718, 207.071
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.010 - 2.120
R-factor	0.205
Rwork	0.204
R-free	0.24640
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]	48.010	48.010	2.160
High resolution limit [Å]	2.120	11.420	2.120
Rmerge	0.096	0.032	1.176
Rmeas	0.111	0.038	1.353
Rpim	0.054	0.020	0.655
Total number of observations	350341
Number of reflections	87715	629	4472
<I/σ(I)>	8.8
Completeness [%]	99.7	96.4	99.8
Redundancy	4	3.7	4.1
CC(1/2)	0.998	0.997	0.431

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, 26 % (w/v) PEG 3350