3X0K

ADP ribose pyrophosphatase from Thermus thermophilus HB8 in ES-state at 0.97 angstrom resolution

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2009-11-22
Detector	ADSC QUANTUM 210
Wavelength(s)	0.7
Spacegroup name	P 32 2 1
Unit cell lengths	49.645, 49.645, 118.673
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 0.970
R-factor	0.131
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.022
RMSD bond angle	2.720
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	20.000	20.000	1.000
High resolution limit [Å]	0.970	2.090	0.970
Number of reflections	99397
Completeness [%]	98.7	98.9	91

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	298	0.24M Acetate-Sodium acetate buffer, 0.32M Ammonium sulfate, 24%(w/v) Glycerol, 9%(w/v) PEG 20000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K