9MGX

Crystal structure of Purine nucleoside phosphorylase from Trichomonas vaginalis (phosphate/adenine 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	H 3 2
Unit cell lengths	93.176, 93.176, 132.152
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	46.590 - 1.250
R-factor	0.1239
Rwork	0.122
R-free	0.14990
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.994
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]	46.590	1.270
High resolution limit [Å]	1.250	1.250
Rmerge	0.116	0.829
Rmeas	0.120	0.889
Rpim	0.027	0.308
Total number of observations	1067879	17955
Number of reflections	59488	2379
<I/σ(I)>	13.8	1.9
Completeness [%]	97.5
Redundancy	18	7.5
CC(1/2)	0.999	0.795

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 citrate pH 4.2, 200 mM NaCl, TrvaA.01033.d.B1.PW39308 at 17.4 mg/mL. 4mM adenine added to the protein prior to crystallization. plate 14430 well C1 drop 3 , Puck: PSL1003. Cryo: 20% Glycerol + 80% crystallant