1KHZ

Structure of the ADPR-ase in complex with AMPCPR and Mg

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	CCD
Collection date	2001-08-16
Detector	CUSTOM-MADE
Wavelength(s)	1.1
Spacegroup name	P 21 21 21
Unit cell lengths	67.100, 67.400, 96.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.000 * - 2.070 *
Rwork	0.196
R-free	0.25000 *
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.012 *
RMSD bond angle	1.850 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.000 *	2.130
High resolution limit [Å]	2.070 *	2.040
Rmerge	0.110	0.240 *
Total number of observations	140757 *
Number of reflections	27868 *	2791 *
Completeness [%]	94.0 *	92.7 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	unknown *	7.5 *	291	VAPOR DIFFUSION, HANGING DROP, temperature 18K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	Tris-HCl	50 (mM)	p7.5
2	1	drop	EDTA	1 (mM)
3	1	reservoir	PEG1000	10 (%)
4	1	reservoir	PEG8000	10 (%)