8U31

Crystal structure of PD-1 in complex with a Fab

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	44.069, 104.069, 143.430
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.130 - 2.730
R-factor	0.2008
Rwork	0.199
R-free	0.23750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	0.939
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	PHENIX (1.18.2-3874_final)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.130	2.830
High resolution limit [Å]	2.730	2.730
Rmerge	0.094	0.658
Number of reflections	80752	8206
<I/σ(I)>	12.05
Completeness [%]	88.7
Redundancy	5
CC(1/2)	0.995	0.794

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	1% w/v Tryptone, 0.001 M Sodium azide, 0.05 M HEPES sodium pH 7.0, 20% w/v PEG 3,350