1K9S

PURINE NUCLEOSIDE PHOSPHORYLASE FROM E. COLI IN COMPLEX WITH FORMYCIN A DERIVATIVE AND PHOSPHATE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X11
Temperature [K]	290
Detector technology	IMAGE PLATE
Collection date	1997-07-23
Detector	MARRESEARCH
Wavelength(s)	0.90950
Spacegroup name	P 41 21 2
Unit cell lengths	178.779, 178.779, 167.943
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.950 - 2.000
R-factor	0.161
Rwork	0.161
R-free	0.18300 *
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.130
High resolution limit [Å]	2.000	2.000
Rmerge	0.106	0.412 *
Total number of observations	622701 *
Number of reflections	178749
Completeness [%]	98.2	97.3 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4 *	295	Cook, W.J., (1985) J. Biol. Chem., 260, 12968. *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	30 (mg/ml)
2	1	drop	ammonium sulfate	15 (%sat)
3	1	drop	citrate	0.025 (M)
4	1	reservoir	ammonium sulfate	30 (%sat)
5	1	reservoir	citrate	0.05 (M)