7ZR4

Molybdenum storage protein loaded with polyoxotungstates in the in vivo-like state

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.214
Spacegroup name	P 63 2 2
Unit cell lengths	115.670, 115.670, 234.490
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.492 - 1.701
R-factor	0.2189
Rwork	0.218
R-free	0.24030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ndo
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.492	46.492	1.800
High resolution limit [Å]	1.700	12.000	1.700
Rmerge		0.027	1.337
Rmeas		0.032	1.652
Number of reflections	191044	519	29841
<I/σ(I)>	10.5	45.91	0.92
Completeness [%]	98.9	92.3	98.1
Redundancy	3.2	4.013	2.893
CC(1/2)	0.990	0.998	0.465

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M NaAc, pH 4.6, 1.1 M NH4H2 citrate, 10% glycerol