3U1X

Crystal structure of a putative glycosyl hydrolase (BDI_1869) from Parabacteroides distasonis ATCC 8503 at 1.70 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-07-05
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 1
Unit cell lengths	38.690, 41.214, 77.324
Unit cell angles	92.98, 91.64, 117.97

Refinement procedure

Resolution	27.459 - 1.700
R-factor	0.1597
Rwork	0.158
R-free	0.19670
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.346
Data reduction software	XDS
Data scaling software	XSCALE (December 6, 2010)
Phasing software	SHELX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	27.459		1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.051	0.017	0.521
Number of reflections	44063	8802	7644
<I/σ(I)>	12	38	1.58
Completeness [%]	93.2	94.7	83
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1M MES pH 6, 30% polyethylene glycol 6000, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K