1RCT

Crystal structure of Human purine nucleoside phosphorylase complexed with INOSINE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	104
Detector technology	CCD
Collection date	2003-07-19
Detector	MARRESEARCH
Wavelength(s)	1.431
Spacegroup name	H 3 2
Unit cell lengths	140.990, 140.990, 161.130
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	8.000 - 2.800
R-factor	0.208
Rwork	0.208
R-free	0.29000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1pwy
RMSD bond length	0.015
RMSD bond angle	25.250 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	56.790	2.950
High resolution limit [Å]	2.800	2.800
Rmerge	0.072	0.268 *
Number of reflections	15363
Completeness [%]	93.3	95.7
Redundancy	5.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, hanging drop *	7.1 *	25 *	pH 5.30

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	12 (mg/ml)
2	1	drop	potassium phosphate	10 (mM)	pH7.1
3	1	reservoir	ammonium sulfate	19 (%(v/v)sat)
4	1	reservoir	citrate	0.05 (M)	pH5.3