7NLD

Structure of human Programmed cell death 1 ligand 1 (PD-L1) with low molecular mass inhibitor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-03-10
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9184
Spacegroup name	P 1 21 1
Unit cell lengths	67.087, 75.255, 74.354
Unit cell angles	90.00, 96.29, 90.00

Refinement procedure

Resolution	43.030 - 2.300
R-factor	0.2443
Rwork	0.243
R-free	0.29390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5o45
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.010	2.420
High resolution limit [Å]	2.300	2.300
Number of reflections	32474	1720
<I/σ(I)>	15	1
Completeness [%]	99.0	98.7
Redundancy	13.4
CC(1/2)	1.000	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1M sodium cocdylate pH 6.5; 25% PEG4000