4XT1

Structure of a nanobody-bound viral GPCR bound to human chemokine CX3CL1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-B
Synchrotron site	APS
Beamline	23-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.033
Spacegroup name	I 4
Unit cell lengths	81.024, 81.024, 231.303
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.234 - 2.886
R-factor	0.2043
Rwork	0.199
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mbs 1f2l 3ona 4b41
RMSD bond length	0.002
RMSD bond angle	0.605
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (dev_1839)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.930
High resolution limit [Å]	2.880	7.810	2.880
Rmerge	0.200	0.114
Rmeas	0.214	0.122
Rpim	0.084	0.041	0.524
Total number of observations	141947
Number of reflections	16648
<I/σ(I)>	5.2
Completeness [%]	98.7	99.5	74.8
Redundancy	8.5	8.5	6.8
CC(1/2)		0.995	0.304

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6.3	293	PEG 300, MES, sodium succinate, polypropylene glycol 400