8U32

Crystal structure of PD-1 in complex with a Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-01-27
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9794
Spacegroup name	P 21 21 21
Unit cell lengths	76.482, 88.881, 235.859
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.960 - 2.510
R-factor	0.1972
Rwork	0.195
R-free	0.23040
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.222
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2-3874_final)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	84.170	2.600
High resolution limit [Å]	2.510	2.510
Rmerge	0.077	0.685
Number of reflections	52262	5506
<I/σ(I)>	16.7
Completeness [%]	93.0	99.6
Redundancy	6.7
CC(1/2)	0.999	0.884

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	20 %w/v PEG 3350, 0.2 M Na2 Malon, 0.1 M BIS-TRIS prop pH 8.5