3ON6

Crystal structure of an exo-alpha-1,6-mannosidase (bacova_03626) from bacteroides ovatus at 1.70 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	2010-04-07
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.91162,0.97944,0.97886
Spacegroup name	P 1 21 1
Unit cell lengths	51.613, 91.138, 99.124
Unit cell angles	90.00, 92.35, 90.00

Refinement procedure

Resolution	29.044 - 1.700
R-factor	0.135
Rwork	0.133
R-free	0.16630
Structure solution method	MAD
RMSD bond length	0.014
RMSD bond angle	1.367
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.044	29.044	1.760
High resolution limit [Å]	1.700	3.660	1.700
Rmerge	0.099	0.033	0.416
Number of reflections	100307	19311	18530
<I/σ(I)>	7.42	20.5	2
Completeness [%]	95.7	97	94.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	277	1.00M LiCl, 20.00% PEG-6000, 0.1M HEPES pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K