3QDR

Structural characterization of the interaction of colicin A, colicin N, and TolB with the TolAIII translocon

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	298
Detector technology	CCD
Collection date	2009-06-15
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8726
Spacegroup name	P 21 21 2
Unit cell lengths	47.497, 119.624, 30.147
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.800 - 2.650
R-factor	0.24518
Rwork	0.244
R-free	0.27263
Structure solution method	SAD
RMSD bond length	0.014
RMSD bond angle	1.867
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASES
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.800	2.790
High resolution limit [Å]	2.650	2.650
Rmerge	0.098	0.344
Number of reflections	5238
<I/σ(I)>	10.5	3.8
Completeness [%]	97.4	98.2
Redundancy	3.6	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2 M K2HPO4, 2.2 M ammonium sulphate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	7.5	293	0.2 M K2HPO4, 2.2 M ammonium sulphate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K