7E4A

Crystal structure of MIF bound to compound 13

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-04-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	67.766, 68.400, 88.663
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.140 - 1.475
R-factor	0.1765
Rwork	0.176
R-free	0.20720
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mif
RMSD bond length	0.016
RMSD bond angle	1.406
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.140	1.500
High resolution limit [Å]	1.475	1.475
Rmerge	0.092	1.321
Rmeas	0.097	1.401
Rpim	0.032	0.459
Number of reflections	70028	3412
<I/σ(I)>	16.6	1.7
Completeness [%]	100.0	99.3
Redundancy	9.5	9.2
CC(1/2)	0.999	0.663

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	310	2.0M ammonium sulfate