8UR2

Crystal Structure of macrophage migration inhibitory factor (MIF) from Trichomonas vaginalis (I41 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
Unit cell lengths	118.390, 118.390, 106.656
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	83.710 - 1.900
R-factor	0.1939
Rwork	0.192
R-free	0.22970
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	0.909
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]	83.710	1.950
High resolution limit [Å]	1.900	1.900
Rmerge	0.075	1.619
Rmeas	0.078	1.682
Rpim	0.021	0.454
Total number of observations	787413	58149
Number of reflections	57827	4271
<I/σ(I)>	16.6	1.8
Completeness [%]	100.0
Redundancy	13.6	13.6
CC(1/2)	0.999	0.637

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	291	Morpheus B12: 12.5%(v/v) MPD, 12.5%(v/v) PEG 1000, 12.5%(w/v) PEG 3350, 100 mM Tris/BICINE, pH 8.5, 30 mM NaF, 30 mM NaBr and 30 mM NaI. TrvaA.00834.a.UX1.PW39224 at 35.4 mg/mL. 5 mM sodium pyruvate added to the protien prior to crystallization. Plate: 13618 well B12 drop 2, Puck: PSL-0111, Cryo: Direct