2PFY

Crystal structure of DctP7, a Bordetella pertussis extracytoplasmic solute receptor binding pyroglutamic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-03-20
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97935
Spacegroup name	P 21 21 21
Unit cell lengths	64.840, 149.750, 169.580
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	112.510 - 1.950
R-factor	0.169
Rwork	0.168
R-free	0.20100
Structure solution method	SAD
RMSD bond length	0.016
RMSD bond angle	1.465
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	SHARP
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	112.510	2.000
High resolution limit [Å]	1.950	1.950
Number of reflections	111077

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4	277	3.8M Potassium Acetate, 0.1M Sodium Citrate, pH 4.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K