3OPV

Crystal structure of E. Coli purine nucleoside phosphorylase Arg24Ala mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SEALED TUBE
Source details	OXFORD DIFFRACTION ENHANCE ULTRA
Temperature [K]	100
Detector technology	CCD
Detector	OXFORD RUBY CCD
Wavelength(s)	1.54128
Spacegroup name	C 1 2 1
Unit cell lengths	151.207, 158.785, 122.240
Unit cell angles	90.00, 93.80, 90.00

Refinement procedure

Resolution	19.100 - 2.400
R-factor	0.182
Rwork	0.181
R-free	0.23800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1k9s
RMSD bond length	0.004
RMSD bond angle	0.778
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]	19.116	19.120	2.530
High resolution limit [Å]	2.400	7.590	2.400
Total number of observations		22715	49258
Number of reflections	111867
<I/σ(I)>	14.2
Completeness [%]	99.8	93.38	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.4	291	30% ammonium sulphate, 50mM citric buffer , pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 291K