6BXG

1.45 Angstrom Resolution Crystal Structure of PDZ domain of Carboxy-Terminal Protease from Vibrio cholerae in Complex with Peptide.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2017-08-08
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 65
Unit cell lengths	35.579, 35.579, 118.394
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.820 - 1.450
R-factor	0.1346
Rwork	0.132
R-free	0.17758
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.414
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	1.480
High resolution limit [Å]	1.450	1.450
Rmerge	0.054	0.759
Rmeas	0.058	0.817
Rpim	0.021	0.300
Number of reflections	15127	775
<I/σ(I)>	51.2	2.9
Completeness [%]	99.9	100
Redundancy	7.4	7.3
CC(1/2)		0.893

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.3	292	Protein: 9.7 mg/ml, 0.5M Sodium chloride, 0.01M Tris pH 8.3; Screen: PACT (E3) 0.2M Sodium iodide, 20% (w/v) PEG 3350..