9B0M

Crystal structure of Macrophage migration inhibitory factor from Plasmodium vivax

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	2024-02-19
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 63
Unit cell lengths	75.457, 75.457, 36.947
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	37.730 - 1.800
R-factor	0.1883
Rwork	0.187
R-free	0.21760
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	0.944
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((dev_5267: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.730	1.840
High resolution limit [Å]	1.800	1.800
Rmerge	0.119	1.878
Rmeas	0.124	1.948
Rpim	0.034	0.514
Total number of observations	154623	9558
Number of reflections	11324	677
<I/σ(I)>	11.2	1.7
Completeness [%]	100.0
Redundancy	13.7	14.1
CC(1/2)	0.994	0.664

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	291	Index D5: 25% w/v Polyethylene glycol 3,350, 0.1 M Sodium acetate trihydrate pH 4.5, PlviB.00834.a.UX1.PW39232 at 12 mg/mL. plate 13719 D5 drop 3. Puck: PSL-0913, Cryo: 80% crystallant + 20% glycerol.