4CYF

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	2013-11-29
Detector	ADXV
Spacegroup name	P 43 21 2
Unit cell lengths	119.941, 119.941, 221.887
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	105.510 - 2.250
R-factor	0.19678
Rwork	0.195
R-free	0.22176
Structure solution method	SIRAS
Starting model (for MR)	NONE
RMSD bond length	0.007
RMSD bond angle	1.252
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	Auto-Rickshaw
Refinement software	REFMAC (5.8.0069)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.300	2.370
High resolution limit [Å]	2.250	2.250
Rmerge	0.140	1.180
Number of reflections	77299
<I/σ(I)>	15.2	2.7
Completeness [%]	99.8	99.3
Redundancy	14.8	14.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5		PROTEIN WAS AT 12 MG/ML IN 50 MM BIS-TRIS PH 6.5 WITH 50 MM NACL. THE RESERVOIR WAS 21% PEG 1500 WITH 10% (V/V) MALATE-MES-TRIS BUFFER AT PH 6.3. 200 NL PLUS 200 NL DROPS IN SITTING DROP PLATES.