7M7K

Crystal structure of uridine bound to Geobacillus thermoglucosidasius pyrimidine nucleoside phosphorylase PyNP

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID29
Synchrotron site	ESRF
Beamline	ID29
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-02-16
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.979
Spacegroup name	P 41 21 2
Unit cell lengths	84.262, 84.262, 121.694
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.330 - 1.890
R-factor	0.1755
Rwork	0.174
R-free	0.20780
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1brw
RMSD bond length	0.006
RMSD bond angle	0.793
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MOLREP
Refinement software	PHENIX (1.18_3845)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.330	1.961
High resolution limit [Å]	1.890	1.893
Number of reflections	35436	3340
<I/σ(I)>	13.26
Completeness [%]	99.5
Redundancy	13.9
CC(1/2)	0.999	0.489

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Ammonium sulfate and 20% PEG3350