5LY3

P. calidifontis crenactin in complex with arcadin-2 C-terminal peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-22
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.92819
Spacegroup name	P 1 21 1
Unit cell lengths	54.180, 70.909, 62.231
Unit cell angles	90.00, 104.21, 90.00

Refinement procedure

Resolution	45.948 - 1.600
R-factor	0.1758
Rwork	0.175
R-free	0.19970
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cj7
RMSD bond length	0.006
RMSD bond angle	0.860
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((1.10_2155: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.690
High resolution limit [Å]	1.600	1.600
Rmerge	0.037	0.554
Number of reflections	58765
<I/σ(I)>	14.1	1.7
Completeness [%]	97.9	93.5
Redundancy	3.3	2.8
CC(1/2)	0.999	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.31 M sodium acetate, 12.8 % (w/v) PEG 4000, 0.1 M sodium acetate, pH 4.5