8GAD

Crystal structure of a high affinity PD-L1 binder

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-1
Synchrotron site	NSLS-II
Beamline	17-ID-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.92
Spacegroup name	P 43 21 2
Unit cell lengths	67.242, 67.242, 101.902
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.620 - 1.880
R-factor	0.1896
Rwork	0.188
R-free	0.21160
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.881
Data reduction software	autoPROC
Data scaling software	Aimless
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.620	1.930
High resolution limit [Å]	1.880	1.880
Rmerge	0.050	0.794
Rmeas	0.052	0.823
Rpim	0.014	0.212
Total number of observations	282139	17768
Number of reflections	19563	1218
<I/σ(I)>	27.9	3.9
Completeness [%]	99.8
Redundancy	14.4	14.6
CC(1/2)	1.000	0.871

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	292	22.5% (w/v) PEG 3350, 0.08 M Bis-Tris and 2% (v/v) Ethylene glycol