4F6T

The crystal structure of the molybdenum storage protein (MoSto) from Azotobacter vinelandii loaded with various polyoxometalates

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	CCD
Collection date	2009-03-03
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.008
Spacegroup name	P 63 2 2
Unit cell lengths	115.740, 115.740, 233.620
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.000 - 1.600
R-factor	0.1421
Rwork	0.139
R-free	0.17330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ogx
RMSD bond length	0.031
RMSD bond angle	5.800
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.000	46.058	1.700
High resolution limit [Å]	1.600	12.000	1.600
Rmerge	0.085	0.031	0.548
Number of reflections	109553	305	11853
<I/σ(I)>	13.45	29.96	3.61
Completeness [%]	90.0	78.8	59.4
Redundancy	4.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	277	NH4H2PO4, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 277K
2	VAPOR DIFFUSION, SITTING DROP	5.6	283	NH4H2PO4, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 283K