3AU0

Structural and biochemical characterization of ClfB:ligand interactions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU RU200
Wavelength(s)	1.54
Spacegroup name	P 43 21 2
Unit cell lengths	96.360, 96.360, 84.130
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	63.380 - 2.450
R-factor	0.203
Rwork	0.203
R-free	0.27900
Structure solution method	MIR
RMSD bond length	0.006
RMSD bond angle	1.200
Phasing software	SOLVE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	63.380	2.600
High resolution limit [Å]	2.450	2.450
Number of reflections	14750
Completeness [%]		9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		293	0.7M sodium formate, 1.44M sodium citrate, VAPOR DIFFUSION, temperature 293K