4NTQ

CdiA-CT/CdiI toxin and immunity complex from Enterobacter cloacae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-03
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 41 2 2
Unit cell lengths	85.250, 85.250, 74.913
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.125 - 2.400
R-factor	0.1859
Rwork	0.183
R-free	0.23730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.153
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX (AutoMR)
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.490
High resolution limit [Å]	2.400	2.400
Number of reflections	11315
Completeness [%]	100.0	100
Redundancy		29.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.1	298	1.5 M ammonium sulfate, 0.1 M Bis Tris pH 5.1, 1% PEG-3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K