3OOE

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	2010-03-12
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95373
Spacegroup name	P 21 21 21
Unit cell lengths	62.076, 123.435, 189.850
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.460 - 2.000
R-factor	0.152
Rwork	0.150
R-free	0.19600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k9s
RMSD bond length	0.008
RMSD bond angle	1.059
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]	47.463	47.600	2.120
High resolution limit [Å]	2.000	5.960	2.000
Rmerge	0.103	0.027	0.462
Number of reflections	97448	4010	15237
<I/σ(I)>	18.64	52.7	4.9
Completeness [%]	98.0	98.8	96.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	291	50mM citric buffer, 34% ammonium sulphate, pH 5.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K