3OOH

Crystal structure of E. Coli purine nucleoside phosphorylase with PO4

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2010-03-11
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9537
Spacegroup name	P 1 21 1
Unit cell lengths	94.447, 165.923, 135.376
Unit cell angles	90.00, 99.69, 90.00

Refinement procedure

Resolution	48.163 - 2.900
R-factor	0.165
Rwork	0.164
R-free	0.21100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k9s
RMSD bond length	0.003
RMSD bond angle	0.639
Data reduction software	XDS
Data scaling software	SCALA (CCP4_3.3.9 2008/10/21)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.200	55.720	3.060
High resolution limit [Å]	2.900	9.170	2.900
Total number of observations		9188	24250
Number of reflections	89913
Completeness [%]	100.0	95.13	54.55

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.3	291	55-75% ammonium phosphate, 50mM citric buffer, pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 291K