7ZSR

purine nucleoside phosphorylase in complex with JS-379

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-14
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.918
Spacegroup name	P 1 21 1
Unit cell lengths	50.528, 84.540, 93.879
Unit cell angles	90.00, 94.47, 90.00

Refinement procedure

Resolution	45.920 - 1.970
R-factor	0.1921
Rwork	0.189
R-free	0.25260
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1g2o
RMSD bond length	0.007
RMSD bond angle	1.542
Data reduction software	XDS
Data scaling software	XDS
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.920	1.950
High resolution limit [Å]	1.900	1.900
Number of reflections	58542	3729
<I/σ(I)>	7.15
Completeness [%]	81.5
Redundancy	3.8
CC(1/2)	0.996	0.440

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291.15	0.1 M Tris; 25 mM Magnesium chloride; 25% w/v PEG4000; pH 7.5