2GSN

Structure of Xac Nucleotide Pyrophosphatase/Phosphodiesterase

Experimental procedure

Experimental method	MAD
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-09-30
Detector	ADSC QUANTUM 210
Wavelength(s)	1.2826,1.2831,1.2782
Spacegroup name	P 21 21 21
Unit cell lengths	65.683, 78.692, 129.527
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 1.750
R-factor	0.17221
Rwork	0.171
R-free	0.20270
Structure solution method	MAD
RMSD bond length	0.008
RMSD bond angle	1.144
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	REFMAC (5.2.0005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.810
High resolution limit [Å]	1.750	1.750
Rmerge	0.097
Number of reflections	67365
Completeness [%]	98.1	81.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.1M Bis-Tris HCl, 20% PEG 3350, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K