8UR4

Crystal Structure of macrophage migration inhibitory factor (MIF) from Trichomonas vaginalis (I4122 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	2023-10-08
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9795
Spacegroup name	I 41 2 2
Unit cell lengths	109.871, 109.871, 125.883
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	82.780 - 2.550
R-factor	0.2547
Rwork	0.253
R-free	0.28000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.501
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.21rc1_5127: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	82.780	2.620
High resolution limit [Å]	2.550	2.550
Rmerge	0.129	1.956
Rmeas	0.133	2.022
Rpim	0.033	0.505
Total number of observations	211801	15124
Number of reflections	12918	955
<I/σ(I)>	14.8	1.6
Completeness [%]	100.0
Redundancy	16.4	15.8
CC(1/2)	0.998	0.703

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	Index A4: 0.1 M BIS-TRIS pH 6.5, 2.0 M Ammonium sulfate. TrvaA.00834.a.UX1.PW39224 at 35.4 mg/mL. 5 mM Sodium 4-OH-phenyl-pyruvate added to the protien prior to crystallization. No electron density for the ligand was observed. Plate: 13644 well A4 drop 1, Puck: PSL-0107, Cryo: 2.5M Lithium sulfate