9MH2

Crystal structure of Purine nucleoside phosphorylase from Trichomonas vaginalis (Adenosine and glycine complex)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 19-ID
Synchrotron site	NSLS-II
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-10-20
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	H 3 2
Unit cell lengths	93.033, 93.033, 130.449
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.520 - 1.350
R-factor	0.1431
Rwork	0.142
R-free	0.16810
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.866
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_5533)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.520	1.370
High resolution limit [Å]	1.350	1.350
Rmerge	0.088	1.560
Rmeas	0.091	1.634
Rpim	0.022	0.482
Total number of observations	785386	26050
Number of reflections	47748	2307
<I/σ(I)>	15.2	1.7
Completeness [%]	100.0
Redundancy	16.4	11.3
CC(1/2)	0.999	0.882

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	Morpheus H8: 12.5%(v/v) MPD, 12.5%(v/v) PEG 1000, 12.5%(w/v) PEG 3350, 100 mM HEPES/MOPS, pH 7.5, 20 mM DL-Glutamic acid, 20 mM DL-Alanine; 20 mM Glycine, 20 mM DL-Lysine monohydrochloride and 20 mM DL-Serine. TrvaA.00429.d.B1.PW39248 at 25 mg/mL. 2mM adenosine added to protein prior to crystallization. plate 14431 well H8 drop 1 . Puck: PSL-0914, Cryo: Direct