9MEA

Crystal Structure of Pyrophosphate-fructose 6-phosphate 1-phosphotransferase 1 (Pfk1) from Trichomonas vaginalis (AMP/fructose-1,6-biphosphate complex)

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	2024-09-28
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 43 21 2
Unit cell lengths	87.527, 87.527, 475.639
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.780 - 2.830
R-factor	0.2057
Rwork	0.204
R-free	0.24210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.744
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]	49.180	2.900
High resolution limit [Å]	2.830	2.830
Rmerge	0.181	1.237
Rmeas	0.189	1.286
Rpim	0.053	0.350
Total number of observations	570932	43601
Number of reflections	45792	3272
<I/σ(I)>	15.4	2.2
Completeness [%]	100.0
Redundancy	12.5	13.3
CC(1/2)	0.998	0.493

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Morpheus A4: 12.5%(v/v) MPD, 12.5%(v/v) PEG 1000, 12.5%(w/v) PEG 3350, 100 mM Imidazole/MES, pH 6.5, 30 mM MgCl2 and 30 mM CaCl2. TrvaA.00429.d.B1.PW39248 at 25 mg/mL. 5 hour soak in 2 mM AMP and D-fructose-1,6-biphosphate in crystallant. plate Liu-S-143 AB34. Puck: PSL-0409, Cryo: Direct