4CYY

The structure of vanin-1: defining the link between metabolic disease, oxidative stress and inflammation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2013-11-07
Detector	ADSC CCD
Spacegroup name	P 32 2 1
Unit cell lengths	101.904, 101.904, 133.652
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	88.250 - 2.890
R-factor	0.17646
Rwork	0.174
R-free	0.21883
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cyf
RMSD bond length	0.008
RMSD bond angle	1.322
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.600	3.040
High resolution limit [Å]	2.890	2.890
Rmerge	0.210	1.120
Number of reflections	18526
<I/σ(I)>	14.5	2.7
Completeness [%]	99.7	97.9
Redundancy	16.3	16.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6		THE PROTEIN WAS AT 15 MG/ML. THE RESERVOIR CONDITIONS WERE 25% (W/V) PEG 1500 PLUS 10% (V/V) SUCCINATE-PHOSPHATE-GLYCINE BUFFER AT PH 6.0. THE PLATES WERE SET UP AT 8 C AND THE DROPS WERE 150 NL PLUS 150 NL IN SITTING DROP PLATES.