6D7Y

1.75 Angstrom Resolution Crystal Structure of the Toxic C-Terminal Tip of CdiA from Pseudomonas aeruginosa in Complex with Immune Protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-F
Synchrotron site	APS
Beamline	21-ID-F
Temperature [K]	100
Detector technology	CCD
Collection date	2017-04-20
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97872
Spacegroup name	P 63
Unit cell lengths	76.579, 76.579, 61.441
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.180 - 1.750
R-factor	0.185
Rwork	0.183
R-free	0.22364
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.507
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	HKL-3000
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.780
High resolution limit [Å]	1.750	1.750
Rmerge	0.075	0.799
Rmeas	0.082	0.868
Rpim	0.032	0.340
Number of reflections	20855	1035
<I/σ(I)>	30.7	2.4
Completeness [%]	99.9	100
Redundancy	6.6	6.6
CC(1/2)		0.722

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	292	Protein: 6.4mg/ml, 0.5 Sodium chloride, 0.01M Tris pH 8.3; Screen: Clasics II (D6), 0.1M Bis-Tris pH 5.5, 25% (w/v) PEG 3350;