4Q6K

Crystal structure of a putative neuraminidase (BACCAC_01090) from Bacteroides caccae ATCC 43185 at 1.90 A resolution (PSI Community Target)

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-02-13
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91837,0.97939
Spacegroup name	P 1 21 1
Unit cell lengths	95.892, 124.337, 107.707
Unit cell angles	90.00, 91.61, 90.00

Refinement procedure

Resolution	29.778 - 1.902
R-factor	0.1395
Rwork	0.138
R-free	0.17290
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.288
Data reduction software	XDS
Data scaling software	XSCALE (July 4, 2012 BUILT=20131111)
Phasing software	SHELX
Refinement software	PHENIX (1.8.2)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.778		1.970
High resolution limit [Å]	1.900	4.080	1.900
Rmerge	0.070	0.026	0.413
Number of reflections	196803	37051	38819
<I/σ(I)>	8.34	22.6	1.9
Completeness [%]	97.5	93.4	96.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.20M potassium citrate, 20.0% polyethylene glycol 3350, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K