3TAW

Crystal structure of a putative glycoside hydrolase (BDI_3141) 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 41 21 2
Unit cell lengths	56.361, 56.361, 231.759
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.970 - 1.700
R-factor	0.1502
Rwork	0.149
R-free	0.17180
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.386
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.15)
Phasing software	SHELX
Refinement software	REFMAC (5.6.0116)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.970	28.970	1.740
High resolution limit [Å]	1.700	7.600	1.700
Rmerge		0.068	0.892
Total number of observations		6934	39430
Number of reflections	42521
<I/σ(I)>	14.4	8.1	0.9
Completeness [%]	100.0	98.4	100
Redundancy	14.2	11.6	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% polyethylene glycol 3350, 0.2M magnesium acetate, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K