4ZQU

CdiA-CT/CdiI toxin and immunity complex from Yersinia pseudotuberculosis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-05-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	63.510, 68.310, 71.419
Unit cell angles	90.00, 92.18, 90.00

Refinement procedure

Resolution	46.490 - 2.090
R-factor	0.2112
Rwork	0.205
R-free	0.25660
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g6u
RMSD bond length	0.003
RMSD bond angle	0.694
Data reduction software	HKL-2000
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall
Low resolution limit [Å]	46.490
High resolution limit [Å]	2.090
Number of reflections	18152
<I/σ(I)>	10
Completeness [%]	99.4
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	50 mM HEPES, pH 7, 20% PEG 3350, 1% tryptone