7ZSE

Molybdenum storage protein in complex with polyoxotungstates in the in-vitro 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	2019-09-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.213
Spacegroup name	P 63 2 2
Unit cell lengths	115.390, 115.390, 234.340
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.961 - 1.400
R-factor	0.2006
Rwork	0.200
R-free	0.21220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ndo
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	45.961	45.961	1.500
High resolution limit [Å]	1.400	12.000	1.400
Rmerge	0.077	0.041	3.051
Rmeas	0.082	0.046	3.270
Total number of observations	2857837
Number of reflections	343224	503	63760
<I/σ(I)>	14.16	42.41	0.91
Completeness [%]	99.8	89.8	99.2
Redundancy	8.326	6.461	7.791
CC(1/2)	0.999	0.994	0.423

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