8UZ4

Crystal Structure of macrophage migration inhibitory factor (MIF) from Trichomonas vaginalis (Apo, P41212 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	2023-10-09
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9795
Spacegroup name	P 41 21 2
Unit cell lengths	80.715, 80.715, 121.152
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	67.170 - 2.400
R-factor	0.2463
Rwork	0.245
R-free	0.26420
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.124
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.710	2.460
High resolution limit [Å]	2.400	2.400
Rmerge	0.091	2.689
Rmeas	0.093	2.745
Rpim	0.020	0.549
Total number of observations	379848	29417
Number of reflections	16349	1195
<I/σ(I)>	21.2	1.6
Completeness [%]	100.0
Redundancy	23.2	24.6
CC(1/2)	0.999	0.627

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	Berkeley D5: 100 mM Hepes free acid/ Sodium hydroxide pH 7.5 200 mM Ammonium acetate 25% (w/v) PEG 3350. TrvaA.00834.a.UX1.PW39224 at 35.4 mg/mL. Plate: 13617 well D5 drop 2, Puck: PSL-1907, Cryo: 20% PEG 200 + 80% crystallant