8VFU

The Fab Crystal Structure of the PAN IL-1 Family Inhibitor Antibody 3G5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-05
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9201
Spacegroup name	P 21 21 21
Unit cell lengths	61.016, 61.269, 119.324
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.670 - 2.450
R-factor	0.215
Rwork	0.213
R-free	0.25560
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.126
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	REFMAC (v8.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.670	2.550
High resolution limit [Å]	2.450	2.450
Rmerge	0.161	0.606
Rmeas	0.185	0.692
Rpim	0.089	0.331
Number of reflections	17065	1887
<I/σ(I)>	8.7	3.1
Completeness [%]	99.9	100
Redundancy	7.8	8
CC(1/2)	0.993

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION		293	0.2M Trimethylamine N-oxide dihydrate, 0.1M Tris pH 8.5, and 20% w/v PEG