7TPS

Crystal structure of ALPN-202 (engineered CD80 vIgD) in complex with PD-L1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-02-27
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9762
Spacegroup name	P 21 21 21
Unit cell lengths	59.928, 122.152, 152.675
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	76.340 - 3.150
R-factor	0.2496
Rwork	0.247
R-free	0.29090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1dr9 5jdr
RMSD bond length	0.008
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	BUSTER (2.11.8 (11-DEC-2020))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	95.380	3.370
High resolution limit [Å]	3.150	3.150
Rmerge		1.722
Number of reflections	19918	107751
<I/σ(I)>	0.9
Completeness [%]	99.3
Redundancy	5.4
CC(1/2)	0.996

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.03 M sodium nitrate, 0.03 M sodium phosphate dibasic, 0.03 M ammonium sulfate, 0.1 M sodium HEPES/MOPS (acid), pH 7.5, 20% v/v glycerol, 10% w/v PEG 4000