1FXU

PURINE NUCLEOSIDE PHOSPHORYLASE FROM CALF SPLEEN IN COMPLEX WITH N(7)-ACYCLOGUANOSINE INHIBITOR AND A PHOSPHATE ION

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE X31
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	X31
Temperature [K]	4
Detector technology	IMAGE PLATE
Collection date	1996-11-06
Detector	MARRESEARCH
Spacegroup name	P 21 3
Unit cell lengths	94.110, 94.110, 94.110
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.180 - 2.200
R-factor	0.175
Rwork	0.175
R-free	0.24400
RMSD bond length	0.011
RMSD bond angle	24.500 *
Data scaling software	SCALEPACK
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.200
High resolution limit [Å]	2.200	2.200 *
Rmerge	0.097 *
Total number of observations	38538 *
Number of reflections	12786
Completeness [%]	89.0 *	87.2 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.9 *	291	0.04M Tris/HCl buffer, PEG 4000, 11-16%, 0.08M MgCl2, VAPOR DIFFUSION, HANGING DROP, temperature 18K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10-12 (mg/ml)
2	1	drop	sodium citrate	10 (mM)
3	1	drop	beta-mercaptoethanol	1 (mM)
4	1	drop	reservoir solution
5	1	reservoir	PEG4000	11-16 (%(v/v))
6	1	reservoir	Tris-HCl	0.04 (M)
7	1	reservoir		0.08 (M)