4UC0

Crystal Structure Of a purine nucleoside phosphorylase (PSI-NYSGRC-029736) from Agrobacterium vitis

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 31-ID
Synchrotron site	APS
Beamline	31-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2013-07-18
Detector	RAYONIX MX225HE
Wavelength(s)	0.97931
Spacegroup name	P 63
Unit cell lengths	97.881, 97.881, 46.356
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.400
R-factor	0.1816
Rwork	0.179
R-free	0.22410
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	1.361
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.440
High resolution limit [Å]	2.400	6.510	2.400
Rmerge	0.093	0.063	0.942
Total number of observations	214774
Number of reflections	19502
<I/σ(I)>	11.2		3.1
Completeness [%]	99.5	91.8	100
Redundancy	11	9.8	10.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	298	Protein (20 mM Hepes, pH 7.5, 150 mM NaCl, 10% glycerol; Reservoir (0.16M MgCl2, 0.08M Tris-HCl pH 8.5, 24% PEG 4000, 20% glycerol - MCSG1 #22); Cryoprotection (None)