4FJ6

Crystal structure of a glycoside hydrolase family 33, candidate sialidase (BDI_2946) from Parabacteroides distasonis ATCC 8503 at 1.90 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	PIXEL
Collection date	2012-04-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97922,0.91837,0.97871
Spacegroup name	H 3
Unit cell lengths	171.738, 171.738, 243.786
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.773 - 1.900
R-factor	0.2088
Rwork	0.207
R-free	0.24260
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.531
Data reduction software	XDS
Data scaling software	XSCALE (December 29, 2011)
Phasing software	SHELX
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.773		1.970
High resolution limit [Å]	1.900	4.080	1.900
Rmerge	0.105	0.036	0.619
Rmeas	0.143	0.049	0.850
Total number of observations	741693
Number of reflections	209534	40949	41170
<I/σ(I)>	6.44	17.8	1.4
Completeness [%]	95.9	95.6	94.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	277	0.2M lithium sulfate, 1.2M sodium dihydrogen phosphate, 0.8M di-potassium hydrogen phosphate, 0.1M Glycine pH 10.5, VAPOR DIFFUSION,SITTING DROP,NANODROP, temperature 277K, VAPOR DIFFUSION, SITTING DROP