7UXQ

Structure of PDL1 in complex with FP28135, 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	F 41 3 2
Unit cell lengths	236.990, 236.990, 236.990
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.380 - 2.890
R-factor	0.2012
Rwork	0.200
R-free	0.22790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zqk
RMSD bond length	0.009
RMSD bond angle	1.187
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.380	2.990
High resolution limit [Å]	2.890	2.890
Rmerge	0.382
Number of reflections	13300	1294
<I/σ(I)>	26.6
Completeness [%]	99.9
Redundancy	83.4
CC(1/2)	0.996	0.776

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	1.1 M Sodium Malonate pH 7.0, 0.1 M HEPES pH 7.0, 0.5% v/v Jeffamine ED-2001 Reagent pH 7.0.