6XZ2

Crystal structure of E. Coli purine nucleoside phosphorylase mutant Y160W with SO4 and Formycin A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-11-28
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0064
Spacegroup name	P 61 2 2
Unit cell lengths	120.475, 120.475, 239.799
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	78.707 - 1.650
R-factor	0.180478601074
Rwork	0.180
R-free	0.19187
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ecp
RMSD bond length	0.006
RMSD bond angle	0.816
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	104.300	1.680
High resolution limit [Å]	1.650	1.650
Rmerge	0.175	1.483
Rmeas	0.177	1.507
Rpim	0.028	0.260
Number of reflections	123021	5869
<I/σ(I)>	14.7
Completeness [%]	99.4
Redundancy	99.8
CC(1/2)	0.998	0.821

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.2	291	50 mM citrate buffer pH 5.2, 14 % ammonium sulphate (w/v)