8S6Z

CD28 in complex with the antibody Fab fragment AI3

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX IV BEAMLINE BioMAX
Synchrotron site	MAX IV
Beamline	BioMAX
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-11-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.999873
Spacegroup name	P 21 21 21
Unit cell lengths	76.874, 117.939, 145.719
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	91.843 - 3.050
Rwork	0.198
R-free	0.25750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.687
Data reduction software	XDS (Jun 30, 2023)
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0425)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	91.843	91.670	3.260
High resolution limit [Å]	3.050	8.630	3.050
Rmerge	0.243	0.057	1.912
Rmeas	0.268	0.063	2.112
Rpim	0.112	0.026	0.884
Number of reflections	25981	1279	4612
<I/σ(I)>	8.2
Completeness [%]	100.0
Redundancy	10.3	8.9	10.5
CC(1/2)	0.995	0.998	0.602

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.4	293	Crystallization trials were set up using the CD28-AI3 Fab at 15.8 mg/mL in phosphate buffered saline (PBS) pH 7.4. Drops were set up using 100 nl protein and 100 nL reservoir solution containing 200 mM zinc acetate, 0.1 M imidazole pH 8.0, 20% w/v PEG 3000.