1A69

PURINE NUCLEOSIDE PHOSPHORYLASE IN COMPLEX WITH FORMYCIN B AND SULPHATE (PHOSPHATE)

Experimental procedure

Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	281
Detector technology	IMAGE PLATE
Collection date	1995-06
Detector	MARRESEARCH
Spacegroup name	P 61 2 2
Unit cell lengths	123.110, 123.110, 241.220
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.100
R-factor	0.196
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ecp
RMSD bond length	0.005
RMSD bond angle	24.500 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	TNT (5E)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.200
High resolution limit [Å]	2.100	2.100
Rmerge	0.137 *	0.297 *
Total number of observations	668538 *
Number of reflections	72585 *
<I/σ(I)>	7.9
Completeness [%]	98.3	98
Redundancy	9.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	5.4 *		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)