4JPQ

Crystal structure of a putative carbohydrate-binding protein (BACUNI_03838) from Bacteroides uniformis ATCC 8492 at 2.70 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	PIXEL
Collection date	2013-01-23
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.91837,0.97941,0.97858
Spacegroup name	P 43 21 2
Unit cell lengths	96.860, 96.860, 137.644
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.230 - 2.700
R-factor	0.2071
Rwork	0.206
R-free	0.23810
Structure solution method	MAD
RMSD bond length	0.011
RMSD bond angle	1.768
Data reduction software	XDS
Data scaling software	XSCALE (July 4, 2012)
Phasing software	SHELX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.230		2.800
High resolution limit [Å]	2.700	5.770	2.700
Rmerge	0.095	0.010	0.010
Number of reflections	18547	3499	3460
<I/σ(I)>	13.68	35.3	1.8
Completeness [%]	99.2	98.4	97.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	10.5	277	0.2000M lithium sulfate, 2.0000M ammonium sulfate, 0.1M CAPS pH 10.5, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K