4IYK

Crystal structure of a putative carbohydrate binding protein (BACUNI_04699) from Bacteroides uniformis ATCC 8492 at 2.00 A resolution

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-21
Detector	ADSC QUANTUM 315
Wavelength(s)	0.918401,0.979369,0.979152
Spacegroup name	P 63
Unit cell lengths	84.802, 84.802, 61.362
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.310 - 2.000
R-factor	0.1752
Rwork	0.173
R-free	0.20700
Structure solution method	MAD
RMSD bond length	0.010
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	XSCALE (March 15, 2012)
Phasing software	SHELX
Refinement software	BUSTER-TNT

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	28.310	28.310	2.070
High resolution limit [Å]	2.000	4.300	2.000
Rmerge	0.049	0.022	0.440
Number of reflections	17020	3334	3040
<I/σ(I)>	15.22	39.1	2.2
Completeness [%]	98.0	98.5	92

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	1.00M lithium chloride, 20.00% polyethylene glycol 6000, 0.1M HEPES pH 7.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 293K