3O0L

Crystal structure of a Pfam DUF1425 family member (Shew_1734) from Shewanella sp. pv-4 at 1.81 a resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-06-11
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97920,0.97860
Spacegroup name	P 31 2 1
Unit cell lengths	62.633, 62.633, 119.040
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.760 - 1.810
R-factor	0.2052
Rwork	0.204
R-free	0.22750
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.608
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.760	29.760	1.860
High resolution limit [Å]	1.810	8.090	1.810
Rmerge		0.047	0.740
Total number of observations		1488	11190
Number of reflections	25352
<I/σ(I)>	13.1	14	2.2
Completeness [%]	99.9	91.4	100
Redundancy	6	4.7	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.14	293	1.4100M ammonium sulfate, 0.2000M sodium chloride, 0.1M sodium acetate pH 4.14, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K