4CYG

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	ADSC CCD
Spacegroup name	P 43 21 2
Unit cell lengths	120.093, 120.093, 221.900
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	105.620 - 2.300
R-factor	0.18765
Rwork	0.186
R-free	0.21444
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4cyf
RMSD bond length	0.006
RMSD bond angle	1.240
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]	48.300	2.420
High resolution limit [Å]	2.300	2.300
Rmerge	0.150	1.240
Number of reflections	72390
<I/σ(I)>	15.6	2.6
Completeness [%]	99.6	99.3
Redundancy	14.9	15.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	281	CRYSTALLIZATION CONDITIONS: PROTEIN AT 12 MG/ML IN 50 MM BIS-TRIS PH 6.5 WITH 50 MM NACL. RESERVOIR CONDITIONS WERE 21% PEG 1500 WITH 10% (V/V) MALATE-MES-TRIS BUFFER AT PH 6.3. DROPS WERE 200 NL PLUS 200 NL IN SITTING DROP PLATES AT 8C.