1YRT

Crystal Structure analysis of the adenylyl cyclaes catalytic domain of adenylyl cyclase toxin of Bordetella pertussis in presence of c-terminal calmodulin

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-ID-B
Synchrotron site	APS
Beamline	14-ID-B
Temperature [K]	100
Detector technology	CCD
Collection date	2004-07-17
Detector	CUSTOM-MADE
Wavelength(s)	1.04189,0.97948,0.97929,0.95645
Spacegroup name	P 41 21 2
Unit cell lengths	79.362, 79.362, 139.211
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.100
R-factor	0.24
Rwork	0.220
R-free	0.27000
Structure solution method	MAD
RMSD bond length	0.023
RMSD bond angle	1.120
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	SHARP
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.180
High resolution limit [Å]	2.100	2.100
Number of reflections	25680
Completeness [%]	96.5	96.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	5.6	298	PEG4000, Isopropanol, Sodium Citrate , pH 5.6, VAPOR DIFFUSION, temperature 298K