1PKE

Crystal Structure of E. coli purine nucleoside phosphorylase complexed with 2-fluoro-2'-deoxyadenosine and sulfate/phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	1996-10-01
Detector	ADSC QUANTUM 4
Wavelength(s)	0.97
Spacegroup name	P 61 2 2
Unit cell lengths	122.700, 122.700, 243.700
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	6.000 - 2.300
R-factor	0.173
Rwork	0.173
R-free	0.24300
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ecp
RMSD bond length	0.007 *
RMSD bond angle	1.300 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	X-PLOR
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	6.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.058 *
Number of reflections	39577 *
Completeness [%]	84.9 *	36.2
Redundancy	1.8 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	298	ammonium sulfate, citrate, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	60 (mg/ml)
2	1	reservoir	ammonium sulfate	30 (%)
3	1	reservoir	citrate	50 (mM)	pH5.4