7DC8

Crystal structure of Switch Ab Fab and hIL6R in complex with ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	95
Detector technology	PIXEL
Collection date	2017-12-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.98000
Spacegroup name	C 2 2 2
Unit cell lengths	103.043, 185.612, 152.085
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	90.091 - 2.757
R-factor	0.2107
Rwork	0.207
R-free	0.27790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1n26
Data reduction software	XDS
Data scaling software	Aimless (0.7.1)
Phasing software	PHASER
Refinement software	PHENIX (1.14rc2_3184)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	92.810	92.810	2.900
High resolution limit [Å]	2.750	8.690	2.750
Rmerge	0.107	0.030	0.818
Rmeas	0.111	0.032	0.851
Rpim	0.030	0.009	0.232
Total number of observations	510514
Number of reflections	38295	1328	5522
<I/σ(I)>	20
Completeness [%]	100.0	99.9	99.7
Redundancy	13.3	12	13.3
CC(1/2)	0.999	1.000	0.924

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	294	0.06 M Tris, 12.0 %(w/v) Polyethylene glycol 1500, 0.06 M Ammonium sulfate