1V48

Calf spleen purine nucleoside phosphorylase (PNP) binary complex with 9-(5,5-difluoro-5-phosphonopenthyl)guanine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X13
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X13
Temperature [K]	277
Detector technology	CCD
Collection date	2000-09-13
Detector	MAR CCD 165 mm
Wavelength(s)	0.913
Spacegroup name	P 21 3
Unit cell lengths	93.183, 93.183, 93.183
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.200
R-factor	0.196
Rwork	0.191
R-free	0.24200
Structure solution method	FOURIER SYNTHESIS
Starting model (for MR)	1fxu
RMSD bond length	0.006
RMSD bond angle	1.300
Data reduction software	TRUNCATE
Data scaling software	SCALEPACK
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.280
High resolution limit [Å]	2.200	2.200
Number of reflections	13902
Completeness [%]	99.7	99.9
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.75	291	PEG 4000, Hepes, magnesium chloride, pH 7.75, VAPOR DIFFUSION, HANGING DROP, temperature 291K