9VY8

Structure of MIF binding with Samarium ions

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-11-28
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979176
Spacegroup name	I 41 2 2
Unit cell lengths	119.052, 119.052, 79.209
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.650 - 2.160
R-factor	0.2286
Rwork	0.228
R-free	0.23340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
RMSD bond angle	1.558
Data reduction software	autoPROC
Data scaling software	Aimless (0.7.4)
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	84.180	84.180	2.270
High resolution limit [Å]	2.150	6.050	2.150
Rmerge	0.120
Rmeas	0.124
Rpim	0.032	0.022	0.667
Number of reflections	15877	671	2527
<I/σ(I)>	16.8
Completeness [%]	99.5
Redundancy	14.1
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M BIS-TRIS pH 6.1, 29.4% w/v polyethylene glycol 3,350, 0.5% w/v n-octyl-beta-D-glucoside