4IAB

Crystal structure of a putative monosaccharide binding protein (BACUNI_03039) from Bacteroides uniformis ATCC 8492 at 1.70 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	2012-10-17
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979493,0.918401,0.979288
Spacegroup name	C 2 2 21
Unit cell lengths	43.731, 213.875, 153.643
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.190 - 1.660
R-factor	0.16369
Rwork	0.163
R-free	0.18394
Structure solution method	MAD
RMSD bond length	0.012
RMSD bond angle	1.575
Data reduction software	XDS
Data scaling software	XSCALE (March 15, 2012)
Phasing software	SHELX
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.190	46.190	1.720
High resolution limit [Å]	1.660	3.570	1.660
Rmerge	0.046	0.025	0.560
Number of reflections	84998	8784	8469
<I/σ(I)>	15.49	36.3	2.2
Completeness [%]	99.1	97	98.9
Redundancy	3.61	3.46	3.63

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	277	1.0M lithium chloride, 20.0% polyethylene glycol 6000, 0.1M MES pH 6.0, NANODROP, VAPOR DIFFUSION, SITTING DROP, temperature 277K