3ONV

Crystal structure of E. Coli purine nucleoside phosphorylase with SO4

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	2010-03-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9537
Spacegroup name	P 61 2 2
Unit cell lengths	120.304, 120.304, 239.809
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.779 - 1.893
R-factor	0.176
Rwork	0.175
R-free	0.20300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.174
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.779	47.600	2.010
High resolution limit [Å]	1.890	5.650	1.890
Rmerge	0.119	0.020	1.065
Number of reflections	81938	3449	12965
<I/σ(I)>	23.08	87.4	2.8
Completeness [%]	99.9	99.1	99.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.3	291	50mM citrate buffer, 28-34 % ammonium sulphate (w/v), pH 5.3, VAPOR DIFFUSION, HANGING DROP, temperature 291K