3OOA

Crystal structures and biochemical characterization of the bacterial solute receptor AcbH reveal an unprecedented exclusive substrate preference for b-D-galactopyranose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-02-17
Detector	ADSC QUANTUM 210
Wavelength(s)	0.91841
Spacegroup name	P 1 21 1
Unit cell lengths	39.250, 66.117, 177.709
Unit cell angles	90.00, 89.97, 90.00

Refinement procedure

Resolution	33.750 - 2.040
R-factor	0.1704
Rwork	0.168
R-free	0.22550
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	model from SeMet SAD phasing
RMSD bond length	0.009
RMSD bond angle	1.047
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	33.750		2.090
High resolution limit [Å]	2.040	9.120	2.040
Rmerge	0.104	0.026	0.538
Rmeas		0.031	0.655
Number of reflections	57305	689	4119
<I/σ(I)>	9.48	25.3	2.2
Completeness [%]	98.4	97.5	96.3
Redundancy	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	291	2.2M (NH4)2SO4, 100mM citric acid , pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K