9MIS

Crystal structure of Purine nucleoside phosphorylase from Trichomonas vaginalis (P21 form)

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	2024-10-26
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	176.491, 50.821, 193.139
Unit cell angles	90.00, 111.94, 90.00

Refinement procedure

Resolution	48.010 - 1.590
R-factor	0.1522
Rwork	0.151
R-free	0.17690
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.783
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]	48.890	1.630
High resolution limit [Å]	1.590	1.590
Rmerge	0.124	1.210
Rmeas	0.135	1.306
Rpim	0.051	0.487
Total number of observations	2933246	222566
Number of reflections	428168	31456
<I/σ(I)>	10.9	1.7
Completeness [%]	100.0
Redundancy	6.9	7.1
CC(1/2)	0.998	0.581

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.5	291	JCSG+ A2: 0.2 M citrate pH 5.5, 20% (w/v) PEG 3000. TrvaA.01033.d.B1.PW39308 at 17.4 mg/mL. citrate acquired from the crystallant in 4 of the subunits. plate 14463 well A2 drop 2 , Puck: PSL1212, Cryo: 80% crystallant + 20% glycerol.