8YWQ

Crystal structure of the Fab fragment of the anti-IL-6 antibody I9H in complex with a domain-swapped IL-6 dimer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-19
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.850
Spacegroup name	C 2 2 2
Unit cell lengths	126.621, 151.875, 76.053
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.970 - 2.510
R-factor	0.2432
Rwork	0.239
R-free	0.27740
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1alu 8ywp
RMSD bond length	0.002
RMSD bond angle	0.508
Data reduction software	XDS (20190315)
Data scaling software	STARANISO (2.3.15)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.970	2.820
High resolution limit [Å]	2.510	2.510
Rpim	0.031	1.411
Number of reflections	14890	744
<I/σ(I)>	11.2	0.7
Completeness [%]	91.7	69.3
Redundancy	13	12.3
CC(1/2)	0.999	0.098

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	293	40% v/v 2-methyl-2,4-pentanediol, 100 mM CAPS (seed stock crystallization conditions: 14-16% PEG 8000, 100 mM magnesium acetate, 100 mM MES pH 6.5)