9MF3

Crystal Structure of macrophage migration inhibitory factor from Plasmodium knowlesi

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	2024-09-28
Detector	DECTRIS EIGER2 XE 9M
Wavelength(s)	0.9786
Spacegroup name	P 41 21 2
Unit cell lengths	134.171, 134.171, 132.695
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.440 - 2.750
R-factor	0.1998
Rwork	0.198
R-free	0.22730
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.862
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (dev_5508)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.440	2.820
High resolution limit [Å]	2.750	2.750
Rmerge	0.147	1.932
Rmeas	0.153	2.010
Rpim	0.042	0.554
Total number of observations	424806	30250
Number of reflections	32136	2327
<I/σ(I)>	15.5	1.6
Completeness [%]	100.0
Redundancy	13.2	13
CC(1/2)	0.999	0.575

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	Crystal Screen HT B12: 0.2M CaCl2, 0.1M NaAc/HAC pH 4.6, 20% iso-propanol. PlknA.00834.a.UX1.PW39225 at 23.5 mg/mL. plate Liu-S-144 B1. Puck: PSL-0508, Cryo: 30% glycerol + 70% crystallant