9MJQ

Crystal structure of Purine nucleoside phosphorylase from Trichomonas vaginalis (inosine 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	2024-12-07
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	H 3 2
Unit cell lengths	92.821, 92.821, 130.152
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.410 - 1.200
R-factor	0.1317
Rwork	0.130
R-free	0.15880
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.922
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]	46.410	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.076	0.864
Rmeas	0.079	0.980
Rpim	0.018	0.445
Total number of observations	1068776	10803
Number of reflections	64325	2372
<I/σ(I)>	19.7	1.7
Completeness [%]	95.6
Redundancy	16.6	4.6
CC(1/2)	1.000	0.738

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	JCSG+ B5: 40% (v/v) MPD, 8% (w/v) PEG 8000, 100mM sodium cacodylate pH 6.5. TrvaA.01033.d.B1.PW39308 at 17.4 mg/mL. cocrystallized with 2mM inosine. plate 14463 well B5 drop 1 , Puck: PSL0310, Cryo: direct.