9MFC

Crystal structure of Purine nucleoside phosphorylase from Trichomonas vaginalis (adenosine and 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	2024-10-20
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	H 3 2
Unit cell lengths	93.107, 93.107, 131.836
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.550 - 1.240
R-factor	0.1303
Rwork	0.129
R-free	0.14770
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.980
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_5493)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.550	1.260
High resolution limit [Å]	1.240	1.240
Rmerge	0.096	0.635
Rmeas	0.099	0.694
Rpim	0.022	0.272
Total number of observations	1072439	16466
Number of reflections	61524	2649
<I/σ(I)>	15.5	2.2
Completeness [%]	99.0
Redundancy	17.4	6.2
CC(1/2)	0.999	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.2	291	JCSG+ C1: 20% (w/v) PEG 8000, 100 mM potassium phosphate citriate pH 4.2, 20 mM NaCl. TrvaA.01033.d.B1.PW39308 at 17.4 mg/mL. 2 mM adenosine added prior to crystallization. plate 14430 well C1 drop 1, Puck: PSL1001, Cryo: 80% crystallant + 20% PEG glycerol.