9ZAX

Crystal structure of Phosphoglycerate mutase from Trichomonas vaginalis in complex with 3-phosphoglyceric acid

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	2025-06-07
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 1 21 1
Unit cell lengths	74.639, 93.061, 95.485
Unit cell angles	90.00, 92.86, 90.00

Refinement procedure

Resolution	48.830 - 2.100
R-factor	0.1796
Rwork	0.178
R-free	0.21260
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.716
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((2.0_5882: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.830	2.140
High resolution limit [Å]	2.100	2.100
Rmerge	0.140	0.950
Rmeas	0.160	1.089
Rpim	0.077	0.523
Total number of observations	327122	19062
Number of reflections	76013	4503
<I/σ(I)>	8.3	1.7
Completeness [%]	99.8
Redundancy	4.3	4.2
CC(1/2)	0.994	0.510

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Index F7 : 250 mM AMSO4, 0.1M Bis-Tris pH 6.5, 25% PEG 3350. TrvaA.01013.a.B1.PW39315 at 18.8 mg/mL. plate SS Clover F4 IDX F7 BK 5 pg 18, overnight soak in 2mM 3PG in crystallant. Puck: PSL-1001, Cryo: 20% (v/v) PEG 200 + 80% crystallant.