3X0L

ADP ribose pyrophosphatase from Thermus thermophilus HB8 in ES-state at 1.00 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	2010-12-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.7
Spacegroup name	P 32 2 1
Unit cell lengths	49.576, 49.576, 119.399
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 1.000
R-factor	0.139
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3x0i
RMSD bond length	0.019
RMSD bond angle	2.660
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	1.020
High resolution limit [Å]	1.000	2.710	1.000
Number of reflections	90869
Completeness [%]	97.9	94.8	96.5

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, 30%(w/v) Glycerol, 10%(w/v) PEG 20000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K