7PPQ

CARM1 in complex with EML736

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-24
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9785
Spacegroup name	P 21 21 2
Unit cell lengths	74.791, 98.532, 206.889
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.800 - 2.100
R-factor	0.1961
Rwork	0.194
R-free	0.22800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ih3
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.800	2.130
High resolution limit [Å]	2.100	2.100
Rmerge	0.089	1.040
Rmeas	0.101	1.282
Rpim	0.047	0.736
Number of reflections	89784	3974
<I/σ(I)>	9.2	0.9
Completeness [%]	99.1	86.7
Redundancy	4.3	2.5
CC(1/2)	0.998	0.416

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	15% PEG 2000, 0.1M sodium chloride, 0.1M tris-HCl