7SLY

Vanin-1 complexed with Compound 27

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CLSI BEAMLINE 08ID-1
Synchrotron site	CLSI
Beamline	08ID-1
Temperature [K]	173
Detector technology	CCD
Collection date	2015-05-22
Detector	RAYONIX MX-300
Wavelength(s)	1
Spacegroup name	I 2 2 2
Unit cell lengths	64.980, 110.973, 147.885
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.380 - 2.170
R-factor	0.1917
Rwork	0.190
R-free	0.22280
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	internal model
RMSD bond length	0.010
RMSD bond angle	1.250
Data reduction software	XDS
Data scaling software	SCALEPACK
Refinement software	BUSTER (2.11.6)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.250
High resolution limit [Å]	2.170	4.670	2.170
Rmerge	0.078	0.052	0.780
Total number of observations	173822
Number of reflections	28458	3000	2638
<I/σ(I)>	12
Completeness [%]	98.9	98.9	93.4
Redundancy	6.1	6	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	100 mM MES pH 6.1-6.7, 22-33% PEG-MME-2000, 10 mM TCEP