3B7C

CRYSTAL STRUCTURE OF A NTF-2 LIKE PROTEIN OF UNKNOWN FUNCTION (SO_0125) FROM SHEWANELLA ONEIDENSIS MR-1 AT 1.70 A RESOLUTION

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2007-10-04
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9537, 0.9797, 0.9795
Spacegroup name	P 65 2 2
Unit cell lengths	66.190, 66.190, 126.070
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.298 - 1.700
R-factor	0.186
Rwork	0.184
R-free	0.21400
Structure solution method	MAD
RMSD bond length	0.018
RMSD bond angle	1.635
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]	29.298	29.298	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.060	0.024	0.561
Number of reflections	18701	3369	3249
<I/σ(I)>	19.59	54.7	2.8
Completeness [%]	99.5	98.1	97.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	277	NANODROP, 0.2M CaCl2, 20.0% Isopropanol, 0.1M Acetate pH 4.6, VAPOR DIFFUSION, SITTING DROP, temperature 277K