3HBK

Crystal structure of putative glycosyl hydrolase, was Domain of Unknown Function (DUF1080) (YP_001302580.1) from Parabacteroides distasonis ATCC 8503 at 2.36 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	2009-03-19
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97932,0.97915
Spacegroup name	P 41 21 2
Unit cell lengths	61.009, 61.009, 167.332
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.336 - 2.360
R-factor	0.2
Rwork	0.198
R-free	0.24500
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.651
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]	29.336	29.336	2.440
High resolution limit [Å]	2.360	5.060	2.360
Rmerge	0.069	0.031	0.951
Number of reflections	13756	2533	2216
<I/σ(I)>	13.77	36.5	1.4
Completeness [%]	99.1	99.2	92.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.2000M Li2SO4, 30.0000% PEG-4000, 0.1M TRIS pH 8.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K