6D49

Cell Surface Receptor in Complex with Ligand at 1.80-A Resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	29.369, 68.765, 73.468
Unit cell angles	90.00, 96.97, 90.00

Refinement procedure

Resolution	36.462 - 1.801
R-factor	0.1848
Rwork	0.183
R-free	0.21080
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6d48
RMSD bond length	0.007
RMSD bond angle	1.154
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.11.1-2575_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.462	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.073	0.599
Rmeas	0.081	0.664
Rpim	0.035	0.284
Number of reflections	26760	1534
<I/σ(I)>	12.6	2.3
Completeness [%]	99.4	94.8
Redundancy	5.3	5.2
CC(1/2)	0.999	0.877

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1 M MES pH 6.5 0.6 M NaCl 18% PEG 4000