1K93

Crystal structure of the adenylyl cyclase domain of anthrax edema factor (EF) in complex with calmodulin

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	116.730, 167.311, 344.296
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 2.950
R-factor	0.278
Rwork	0.278
R-free	0.31500
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	edema factor complexed with calmodulin and 3'dATP
RMSD bond length	0.011
RMSD bond angle	22.100 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.060
High resolution limit [Å]	2.950 *	2.950
Rmerge	0.061 *	0.266 *
Total number of observations	1143125 *
Number of reflections	69876
<I/σ(I)>	20.18	3.55
Completeness [%]	98.8 *	98.1 *
Redundancy	16.0 *	5.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	peg8000, ammonium sulphate, cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K