4NDQ

Crystal structure Molybdenum Storage Protein with fully Mo-loaded cavity

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	2012-03-21
Detector	PSI PILATUS 6M
Wavelength(s)	1.00
Spacegroup name	P 63 2 2
Unit cell lengths	115.150, 115.150, 234.500
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	9.997 - 1.751
R-factor	0.1802
Rwork	0.179
R-free	0.20490
Structure solution method	start from known model
Starting model (for MR)	4f6t
RMSD bond length	0.009
RMSD bond angle	1.766
Data reduction software	XDS
Data scaling software	XDS
Phasing software	REFMAC
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.850
High resolution limit [Å]	1.750	1.750
Rmerge	0.058
Number of reflections	91252
<I/σ(I)>	16.6
Completeness [%]	99.2	99.2
Redundancy	4.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	291	0,1 M NaCitrate, 1.1 M (NH4)HCitrate, 0.1 M (NH4)H2PO4, 15% (v/v)EG, pH 5.6, VAPOR DIFFUSION, SITTING DROP, temperature 291K