8GY5

High-resolution structure of the cemiplimab Fab in complex with PD-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-03-22
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	55.060, 62.960, 81.290
Unit cell angles	105.73, 98.00, 92.44

Refinement procedure

Resolution	29.610 - 1.980
R-factor	0.1894
Rwork	0.187
R-free	0.23550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ggs
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20_4459)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.050
High resolution limit [Å]	1.980	1.980
Number of reflections	71456	3596
<I/σ(I)>	10.9
Completeness [%]	94.5
Redundancy	2.8
CC(1/2)	0.998	0.760

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	0.2 M sodium formate, 20% PEG 3350