1G0S

THE CRYSTAL STRUCTURE OF THE E.COLI ADP-RIBOSE PYROPHOSPHATASE

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	1999-07-15
Detector	BRANDEIS
Spacegroup name	P 21 21 21
Unit cell lengths	66.930, 67.890, 98.070
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.370 - 1.900
Rwork	0.192
R-free	0.24100
RMSD bond length	0.009
RMSD bond angle	25.600 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	CNS (0.9)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	500.000	1.970
High resolution limit [Å]	1.900	1.900
Rmerge	0.060	0.216
Number of reflections	32040
Completeness [%]	89.2	50

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5 *	18 *	drop contains protein and reservoir solution in a 2:1 ratio *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	20 (mg/ml)
2	1	drop	Tris-Cl	50 (mM)
3	1	drop	EDTA	1 (mM)
4	1	reservoir	PEG8000	10 (%(w/v))
5	1	reservoir	PEG1000	10 (%(w/v))