2Q9R

CRYSTAL STRUCTURE OF a DUF416 family protein (SBAL_3149) FROM SHEWANELLA BALTICA OS155 AT 1.91 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-06-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97922, 0.97905
Spacegroup name	C 2 2 21
Unit cell lengths	68.570, 77.140, 87.170
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.062 - 1.910
R-factor	0.171
Rwork	0.169
R-free	0.21500
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.456
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.062	29.062	1.980
High resolution limit [Å]	1.910	4.100	1.910
Rmerge	0.041	0.017	0.633
Number of reflections	18196	3444	3432
<I/σ(I)>	13.64	45	1.6
Completeness [%]	99.2	97.7	97.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	NANODROP, 2.4M (NH4)2SO4, 0.1M MES pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K