4DQA

Crystal structure of a putative carbohydrate binding protein (BACOVA_03559) from Bacteroides ovatus ATCC 8483 at 1.50 A resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL14-1
Synchrotron site	SSRL
Beamline	BL14-1
Temperature [K]	100
Detector technology	CCD
Collection date	2011-12-01
Detector	MARMOSAIC 325 mm CCD
Spacegroup name	P 61 2 2
Unit cell lengths	94.131, 94.131, 156.273
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.183 - 1.500
R-factor	0.1569
Rwork	0.156
R-free	0.17640
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.284
Data reduction software	MOSFLM
Data scaling software	SCALA (3.3.20)
Phasing software	SHELX
Refinement software	PHENIX (1.7.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.183	29.183	1.540
High resolution limit [Å]	1.500	6.710	1.500
Rmerge		0.065	0.848
Total number of observations		6378	43006
Number of reflections	65989
<I/σ(I)>	11.7	9.9	0.9
Completeness [%]	100.0	97.4	100
Redundancy	9	7.4	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.2M sodium chloride, 1.0M sodium citrate, 0.1M TRIS pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K