6GX4

The molybdenum storage protein: with ATP/Mn2+ and with POM clusters formed 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	2013-04-10
Detector	PSI PILATUS 6M
Wavelength(s)	1.896
Spacegroup name	P 63 2 2
Unit cell lengths	114.270, 114.270, 234.140
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.411 - 1.900
R-factor	0.1755
Rwork	0.174
R-free	0.20480
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4f6t
RMSD bond length	0.008
RMSD bond angle	2.463
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	2.000
High resolution limit [Å]	1.900	1.900
Number of reflections	67867
<I/σ(I)>	16.7	2.3
Completeness [%]	93.1
Redundancy	7.1
CC(1/2)	0.992	0.443

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	293.15	0.1 M sodium citrate, 1.2 M ammonium phosphate 10% glycerol