3FB1

Crystal Structure of Purine Nucleoside Phosphorylase in Complex with Ribose-1-Phosphate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2007-04-11
Detector	MAR CCD 165 mm
Wavelength(s)	1.459
Spacegroup name	P 21 21 21
Unit cell lengths	48.965, 117.669, 129.514
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	56.733 - 2.002
R-factor	0.177
Rwork	0.175
R-free	0.23400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.223
Data reduction software	MOSFLM
Data scaling software	SCALA (3.2.25)
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	87.092	129.100	2.110
High resolution limit [Å]	2.000	6.320	2.000
Rmerge	0.063	0.035	0.452
Total number of observations		5871	15830
Number of reflections	48547
<I/σ(I)>	9.362	15.4	1.5
Completeness [%]	95.1	97.8	86.7
Redundancy	2.9	3.3	2.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION		277	18-20% PEG1500, 20% glycerol, 32mM Sodium Acetate, pH 4.9-5.0, vapor diffusion, temperature 277K