3S5Q

Crystal structure of a putative glycosyl hydrolase (BDI_2473) from Parabacteroides distasonis ATCC 8503 at 1.85 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-07-07
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.97954,0.91837,0.97874
Spacegroup name	P 21 21 21
Unit cell lengths	41.062, 60.473, 77.221
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.250 - 1.850
R-factor	0.1711
Rwork	0.169
R-free	0.20180
Structure solution method	MAD
RMSD bond length	0.017
RMSD bond angle	1.529
Data reduction software	XDS
Data scaling software	XSCALE (January 30)
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	36.250	36.250	1.920
High resolution limit [Å]	1.850	3.980	1.850
Rmerge	0.097	0.033	0.683
Number of reflections	16569	1816	1684
<I/σ(I)>	11.41	32.3	2.1
Completeness [%]	97.1	97.3	96.1
Redundancy	3.98		3.99

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	277	0.200M NH4I, 20.00% PEG-3350, No Buffer pH 6.2, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K