6V2E

Crystal structure of the human CLR:RAMP2 extracellular domain heterodimer with bound high-affinity adrenomedullin S45R/K46L/S48G/Q50W variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	105
Detector technology	CCD
Collection date	2018-12-01
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9786
Spacegroup name	P 21 21 21
Unit cell lengths	68.017, 84.993, 123.064
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.970 - 1.830
R-factor	0.1582
Rwork	0.157
R-free	0.18960
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4rwf
RMSD bond length	0.010
RMSD bond angle	1.530
Data reduction software	HKL-2000 (v.712)
Data scaling software	HKL-2000 (v.712)
Phasing software	PHASER (2.8.2)
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.860
High resolution limit [Å]	1.830	4.970	1.830
Rmerge	0.087	0.029	1.180
Rmeas	0.093	0.031	1.274
Rpim	0.034	0.012	0.476
Total number of observations	468938
Number of reflections	63239	3416	3064
<I/σ(I)>	6.8
Completeness [%]	99.6	99.6	98.9
Redundancy	7.4	6.9	6.9
CC(1/2)		0.999	0.631

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.3	293	20% PEG MME 5000, 0.1 M sodium HEPEs pH 8.2, 150 mM sodium formate, 3% (v/v) dimethyl sulfoxide