7CZD

Crystal structure of PD-L1 in complex with a VHH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-10-25
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978
Spacegroup name	P 1 21 1
Unit cell lengths	34.620, 97.990, 67.520
Unit cell angles	90.00, 90.02, 90.00

Refinement procedure

Resolution	39.650 - 1.640
R-factor	0.1513
Rwork	0.150
R-free	0.18370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5jds 5m2j
RMSD bond length	0.004
RMSD bond angle	1.244
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.650	1.670
High resolution limit [Å]	1.640	1.640
Rmerge	0.041	0.441
Rpim	0.031
Number of reflections	51992	2495
<I/σ(I)>	15
Completeness [%]	94.6	92.6
Redundancy	3.5
CC(1/2)	0.999	0.796

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2 M ammonium sulfate, 0.1 M Bis-Tris pH 5.5, 25% w/v PEG 3350