7UX5

Structure of PDL1 in complex with FP28136, a Helicon Polypeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 05A
Synchrotron site	NSRRC
Beamline	TPS 05A
Temperature [K]	100
Detector technology	CCD
Collection date	2021-06-11
Detector	RAYONIX MX300-HS
Wavelength(s)	0.99984
Spacegroup name	P 21 21 21
Unit cell lengths	76.477, 77.882, 127.747
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.020 - 3.350
R-factor	0.2365
Rwork	0.233
R-free	0.30070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5c3t
RMSD bond length	0.006
RMSD bond angle	1.046
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.20_4444)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.020	3.470
High resolution limit [Å]	3.350	3.350
Rmerge	0.199	0.750
Number of reflections	11440	25562
<I/σ(I)>	9.9
Completeness [%]	99.6
Redundancy	10.8
CC(1/2)	0.996	0.949

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1 M TRIS pH 8, 25% v/v PEG 350 MME.