8OZ3

Crystal structure of scFv ATOR 1017 bound to human 4-1BB

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	2023-03-26
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.992
Spacegroup name	P 2 21 21
Unit cell lengths	61.923, 125.214, 128.785
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	89.776 - 3.100
Rwork	0.205
R-free	0.27080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.332
Data reduction software	autoXDS
Data scaling software	autoXDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0405)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	89.800	3.310
High resolution limit [Å]	3.100	3.100
Number of reflections	18851	3345
<I/σ(I)>	7.5
Completeness [%]	100.0
Redundancy	11.7
CC(1/2)	0.997	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	1.1 M sodium/potassium tartrate and 0.1 M MES pH 6.5