3LM3

Crystal structure of a putative glycoside hydrolase/deacetylase (bdi_3119) from parabacteroides distasonis at 1.44 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-12-02
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 61 2 2
Unit cell lengths	124.359, 124.359, 103.746
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	74.720 - 1.440
R-factor	0.142
Rwork	0.141
R-free	0.16000
Structure solution method	SAD
RMSD bond length	0.013
RMSD bond angle	1.498
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	74.720	74.720	1.490
High resolution limit [Å]	1.440	3.100	1.440
Rmerge	0.088	0.048	0.987
Number of reflections	85438	9062	8168
<I/σ(I)>	19.2	63.4	2.3
Completeness [%]	100.0	99.9	99.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.3	293	20.0000% polyethylene glycol 3350, 0.2000M CaAcetate, No Buffer pH 7.3, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K