7UXN

Structure of PPIA in complex with FP29103, a Helicon Polypeptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-05-23
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97741
Spacegroup name	P 21 21 21
Unit cell lengths	42.080, 48.010, 81.870
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.410 - 1.360
R-factor	0.1946
Rwork	0.193
R-free	0.21660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k0n
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]	41.410	1.410
High resolution limit [Å]	1.360	1.360
Rmerge	0.044	0.951
Number of reflections	36286	3474
<I/σ(I)>	27.8
Completeness [%]	99.7
Redundancy	12.3
CC(1/2)	1.000	0.755

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.2 M Sodium acetate, 0.1 M Sodium cacodylate pH 6.5, 30% w/v PEG 8000.