9MG7

Crystal structure of Purine nucleoside phosphorylase from Trichomonas vaginalis (phosphate bound)

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	2024-10-24
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	H 3 2
Unit cell lengths	93.391, 93.391, 132.570
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.700 - 1.270
R-factor	0.1405
Rwork	0.139
R-free	0.16140
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.923
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_5438)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.700	1.300
High resolution limit [Å]	1.270	1.270
Rmerge	0.078	1.007
Rmeas	0.080	1.076
Rpim	0.018	0.366
Total number of observations	1043673	30497
Number of reflections	57938	3793
<I/σ(I)>	23.8	2
Completeness [%]	98.8
Redundancy	18	8
CC(1/2)	0.999	0.713

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	291	JCSG+ B6: 0.1 M potassium phosphate/citrate, pH 4.2, 40% (v/v) etahnol, 5% (w/v) PEG 1000. TrvaA.01033.d.B1.PW39308 at 17.4 mg/mL. phosphate acquired from the crystallization. plate 14462 well C8 drop 1, Puck: PSL1213, Cryo: 80% crystallant + 20% glycerol.