2PFZ

Crystal structure of DctP6, a Bordetella pertussis extracytoplasmic solute receptor binding pyroglutamic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM30A
Synchrotron site	ESRF
Beamline	BM30A
Detector technology	CCD
Collection date	2006-04-27
Detector	MAR CCD 165 mm
Wavelength(s)	0.97942
Spacegroup name	P 41 21 2
Unit cell lengths	108.390, 108.390, 63.090
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.850 - 1.800
R-factor	0.189
Rwork	0.187
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.435
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall
Low resolution limit [Å]	19.850
High resolution limit [Å]	1.800
Number of reflections	35219

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	36% (w/v) PEG 2000 MME, 0.1M PIPES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K