3X0I

ADP ribose pyrophosphatase in apo state at 0.91 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	2010-10-23
Detector	ADSC QUANTUM 315
Wavelength(s)	0.7
Spacegroup name	P 32 2 1
Unit cell lengths	49.683, 49.683, 118.182
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 0.910
R-factor	0.1359
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1v8r
RMSD bond length	0.021
RMSD bond angle	2.620
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	0.940
High resolution limit [Å]	0.910	1.960	0.910
Number of reflections	119766
Completeness [%]	98.3	99.1	96.8

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, 8% (w/v) PEG 20000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K