9MGV

Crystal structure of Apo Purine nucleoside phosphorylase from Trichomonas vaginalis (H32 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	2024-10-24
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	H 3 2
Unit cell lengths	93.073, 93.073, 132.068
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.540 - 1.200
R-factor	0.1074
Rwork	0.106
R-free	0.12750
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_5508)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.540	1.220
High resolution limit [Å]	1.200	1.200
Rmerge	0.059	0.203
Rmeas	0.061	0.226
Rpim	0.014	0.094
Total number of observations	1095308	10352
Number of reflections	65118	2040
<I/σ(I)>	28.7	5.5
Completeness [%]	94.9
Redundancy	16.8	5.1
CC(1/2)	1.000	0.965

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.6	291	Crystal Screen HT A10: 0.20 M Ammounium Acetate, 0.10 M sodium Acetate, pH 4.6, 30% PEG 4000, TrvaA.01033.d.B1.PW39308 at 17.4 mg/mL. plate 14429 well A10 drop 1 , Puck: PSL0905. Cryo: direct