7UXO

Structure of PDL1 in complex with FP30790, a Helicon Polypeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL45XU
Synchrotron site	SPring-8
Beamline	BL45XU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-18
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	59.410, 62.980, 83.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.220 - 2.250
R-factor	0.22
Rwork	0.218
R-free	0.24990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zqk
RMSD bond length	0.008
RMSD bond angle	0.943
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]	43.220	2.330
High resolution limit [Å]	2.250	2.250
Rmerge	0.043
Number of reflections	7385	572
<I/σ(I)>	22.2
Completeness [%]	95.7
Redundancy	6
CC(1/2)	0.999	0.978

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.1 M Sodium acetate pH 4.6, 2.0 M Sodium formate.