7UXJ

Structure of PPIA in complex with FP29102, 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	2021-04-22
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.000
Spacegroup name	P 1 21 1
Unit cell lengths	61.770, 74.530, 73.770
Unit cell angles	90.00, 90.90, 90.00

Refinement procedure

Resolution	47.730 - 2.070
R-factor	0.2262
Rwork	0.224
R-free	0.26160
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k0n
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.730	2.140
High resolution limit [Å]	2.070	2.070
Rmerge	0.124	0.974
Number of reflections	40678	4034
<I/σ(I)>	8.5
Completeness [%]	99.4
Redundancy	6.7
CC(1/2)	0.996	0.785

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	0.15 M Potassium bromide, 30% w/v Polyethylene glycol monomethyl ether 2,000