9VYA

Structure of MIF binding with Neodymium 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	2024-09-28
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.979176
Spacegroup name	C 1 2 1
Unit cell lengths	71.540, 40.560, 56.020
Unit cell angles	90.00, 112.53, 90.00

Refinement procedure

Resolution	31.840 - 1.410
R-factor	0.1429
Rwork	0.142
R-free	0.15870
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.356
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]	51.740	51.740	1.450
High resolution limit [Å]	1.410	5.940	1.410
Rmerge	0.131	0.043	0.210
Rmeas	0.145		0.272
Rpim	0.059		0.171
Number of reflections	28608	335	2101
<I/σ(I)>	14.8		5.9
Completeness [%]	99.5
Redundancy	5.6
CC(1/2)	0.995		0.617

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.1 M BIS-TRIS pH 5.5, 25% w/v polyethylene glycol 3,350