3MFX

Crystal Structure of the sensory box domain of the sensory-box/GGDEF protein SO_1695 from Shewanella oneidensis, Northeast Structural Genomics Consortium Target SoR288B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X4A
Synchrotron site	NSLS
Beamline	X4A
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-02
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97908
Spacegroup name	P 61 2 2
Unit cell lengths	70.171, 70.171, 341.762
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.940 - 2.400
R-factor	0.207
Rwork	0.205
R-free	0.25200
Structure solution method	SAD
RMSD bond length	0.007
RMSD bond angle	1.200
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHELX (followed by SOLVE/RESOLVE)
Refinement software	CNS (1.2 & XtalView)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.490
High resolution limit [Å]	2.400	2.400
Rmerge	0.114	0.450
Number of reflections	37053
<I/σ(I)>	16.6	2.3
Completeness [%]	99.4	96.7
Redundancy	13.6	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	Protein solution: 100mM NaCl, 5mM DTT, 0.02% NaN3, 10mM Tris-HCl (pH 7.5), Reservoir solution: 0.1M Bis-Tris Propane (pH 7), 20% PEG 4k, and 0.1M sodium bromide, VAPOR DIFFUSION, HANGING DROP, temperature 277K