1K90

Crystal structure of the adenylyl cyclase domain of anthrax edema factor (EF) in complex with calmodulin and 3' deoxy-ATP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	100
Detector technology	CCD
Detector	ADSC QUANTUM 4
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	116.099, 166.100, 343.330
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 * - 2.750
R-factor	0.215
Rwork	0.215
R-free	0.28600
Structure solution method	MIR
RMSD bond length	0.005
RMSD bond angle	1.800 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.750
Rmerge	0.097 *	0.264 *
Number of reflections	81651
Completeness [%]	91.6 *	57.2 *
Redundancy	10.9 *	3.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	PEG 8000, Ammonium Sulphate, Cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K