2GPI

Crystal structure of a protein of unknown function from duf1488 family (shew_3726) from shewanella loihica pv-4 at 1.60 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	2006-03-12
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837, 0.97925, 0.97858
Spacegroup name	C 2 2 21
Unit cell lengths	48.030, 83.250, 58.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.140 - 1.600
R-factor	0.152
Rwork	0.151
R-free	0.17200
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.538
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELXD
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.140		1.660
High resolution limit [Å]	1.600	2.730	1.600
Rmerge	0.056	0.046	0.339
Number of reflections	15507	2852	2737
<I/σ(I)>	11.37	19	2.8
Completeness [%]	93.0	94.1	87.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP, NANODROP	4.6	277	2.0M (NH4)2SO4, 0.1M Acetate, pH 4.6, VAPOR DIFFUSION, SITTING DROP, NANODROP, temperature 277K