9O8J

Crystal structure of Phosphoglycerate mutase from Trichomonas vaginalis (sulfate 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	2024-12-14
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 21 21 2
Unit cell lengths	92.361, 95.803, 73.521
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.900 - 2.050
R-factor	0.2071
Rwork	0.205
R-free	0.23930
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.494
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_5660)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.900	2.100
High resolution limit [Å]	2.050	2.050
Rmerge	0.125	1.528
Rmeas	0.130	1.588
Rpim	0.036	0.429
Total number of observations	549189	40923
Number of reflections	41670	3028
<I/σ(I)>	14.3	1.9
Completeness [%]	100.0
Redundancy	13.2	13.5
CC(1/2)	0.999	0.523

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Crystal Screen HT F11: 1.60M A/S, 0.10M MES, pH 6.5, 10% 1,4-dioxane. TrvaA.01013.a.B1.PW39315 at 18.8 mg/mL. plate 19517 well F11 drop 1, Puck: PSL-0611, Cryo: 2.5M Li2SO4.