5LY5

Arcadin-1 from Pyrobaculum calidifontis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-05-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97949
Spacegroup name	P 65 2 2
Unit cell lengths	84.051, 84.051, 61.330
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.000
R-factor	0.20961
Rwork	0.208
R-free	0.23032
Structure solution method	SIRAS
RMSD bond length	0.020
RMSD bond angle	2.121
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0151)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.110
High resolution limit [Å]	2.000	2.000
Rmerge	0.065	1.348
Number of reflections	9095
<I/σ(I)>	26.6	2.3
Completeness [%]	100.0	100
Redundancy	19	19.7
CC(1/2)	1.000	0.903

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	7.2 % MPD (v/v), 14 mM MgCl2, 50 mM sodium cacodylate pH 6.0