9MG9

Crystal structure of Purine nucleoside phosphorylase from Trichomonas vaginalis (glycerol 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	P 1 21 1
Unit cell lengths	102.806, 50.947, 153.150
Unit cell angles	90.00, 95.62, 90.00

Refinement procedure

Resolution	44.540 - 1.640
R-factor	0.1535
Rwork	0.152
R-free	0.17860
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.005
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]	152.410	1.680
High resolution limit [Å]	1.640	1.640
Rmerge	0.084	1.183
Rmeas	0.092	1.281
Rpim	0.036	0.486
Total number of observations	1188075	96470
Number of reflections	181573	14198
<I/σ(I)>	13.3	1.6
Completeness [%]	93.6
Redundancy	6.5	6.8
CC(1/2)	0.999	0.648

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.9	291	JCSG+ A5: 0.2 M magnesium formate, pH 5.9, 20% (w/v) PEG 3350. TrvaA.01033.d.B1.PW39308 at 17.4 mg/mL. glycerol acquired from the cryo. plate 14430 well A5 drop 2, Puck: PSL1005, Cryo: 80% crystallant + 20% glycerol.