3NMB

Crystal structure of a putative sugar hydrolase (BACOVA_03189) from Bacteroides ovatus at 2.40 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)	0.91837,0.97931,0.97868
Spacegroup name	P 43 21 2
Unit cell lengths	99.880, 99.880, 94.722
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.825 - 2.400
R-factor	0.1718
Rwork	0.169
R-free	0.21660
Structure solution method	MAD
RMSD bond length	0.016
RMSD bond angle	1.549
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHELX
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.825	28.825	2.490
High resolution limit [Å]	2.400	5.140	2.400
Rmerge	0.195	0.084	0.979
Number of reflections	18955	3616	3524
<I/σ(I)>	6.88	15	1.5
Completeness [%]	98.1	98.2	94

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9.1	277	0.200M Na2HPO4, 20.00% PEG-3350, No Buffer, pH 9.1, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K