2DSB

Crystal structure of human ADP-ribose pyrophosphatase NUDT5

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	BSRF BEAMLINE 3W1A
Synchrotron site	BSRF
Beamline	3W1A
Temperature [K]	100
Detector technology	CCD
Collection date	2005-01-02
Detector	MARRESEARCH
Wavelength(s)	0.9794, 0.9797, 0.9819
Spacegroup name	P 1 21 1
Unit cell lengths	81.717, 70.316, 87.629
Unit cell angles	90.00, 100.41, 90.00

Refinement procedure

Resolution	35.550 - 2.500
R-factor	0.214
Rwork	0.214
R-free	0.26200
Structure solution method	MAD
RMSD bond length	0.007
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SOLVE
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.070
Number of reflections	32826
<I/σ(I)>	20.1
Completeness [%]	96.3	81.2
Redundancy	3.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	25% 2-methyl-2,4-pentanediol, 0.16M sodium acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K
1	VAPOR DIFFUSION, HANGING DROP	5.5	277	25% 2-methyl-2,4-pentanediol, 0.16M sodium acetate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K