5WB2

US28 bound to engineered chemokine CX3CL1.35 and nanobodies

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-08-07
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.03323
Spacegroup name	P 21 21 2
Unit cell lengths	47.170, 128.940, 127.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.374 - 3.500
R-factor	0.2563
Rwork	0.252
R-free	0.29620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4xt1
RMSD bond length	0.003
RMSD bond angle	0.701
Data reduction software	XDS (May 1, 2016)
Data scaling software	XSCALE (May 1, 2016)
Phasing software	PHASER (2.6.0)
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.590
High resolution limit [Å]	3.500	3.500
Rmerge	0.026	1.261
Rmeas		1.395
Rpim	0.029
Number of reflections	10361	762
<I/σ(I)>	5.24	1.2
Completeness [%]	99.5	100
Redundancy	5.3	5.5
CC(1/2)	0.986	0.506

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIPIDIC CUBIC PHASE	6	293	MES pH 6.0, 50 mM lithium sulfate, 35-39% PEG300, 1% 1,2,3-heptanetriol in monoolein:cholesterol (9:1)