6H73

Molybdenum storage protein - recombinantly produced and loaded with molybdate under in vitro conditions

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	2015-11-30
Detector	PSI PILATUS 6M
Wavelength(s)	0.618
Spacegroup name	P 63 2 2
Unit cell lengths	115.190, 115.190, 233.060
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.230 - 2.300
R-factor	0.2124
Rwork	0.211
R-free	0.23250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ndo
RMSD bond length	0.003
RMSD bond angle	1.824
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX ((1.13_2998: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.400
High resolution limit [Å]	2.300	2.300
Number of reflections	76855
<I/σ(I)>	9
Completeness [%]	100.0
Redundancy	10.2
CC(1/2)	0.992	0.634

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.1 M sodium citrate, pH 5.6, 1 M ammonium phosphate