1R15

Aplysia ADP ribosyl cyclase with bound nicotinamide and R5P

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	200
Wavelength(s)	0.919
Spacegroup name	P 1
Unit cell lengths	60.400, 75.320, 138.130
Unit cell angles	88.16, 89.22, 89.09

Refinement procedure

Resolution	33.000 - 2.400
R-factor	0.245
Rwork	0.244
R-free	0.26940 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.692
Data reduction software	DENZO
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.000
High resolution limit [Å]	2.400	2.400 *
Rmerge	0.108 *	0.310 *
Number of reflections	57197
Completeness [%]	88.0	44.7 *
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	18 *	Munshi, C., (1999) J. Biol. Chem., 274, 30770. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	reservoir	PEG4000	17 (%(w/v))
2	1	reservoir	imidazole	0.1 (M)	pH7.5