7E49

Crystal structure of MIF bound to compound10

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	2019-04-15
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	67.756, 68.016, 88.294
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.000 - 1.574
R-factor	0.2205
Rwork	0.217
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1mif
RMSD bond length	0.004
RMSD bond angle	0.717
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]	48.002	1.600
High resolution limit [Å]	1.570	1.570
Rmerge	0.094	1.703
Rmeas	0.089	1.605
Rpim	0.030	0.559
Number of reflections	57131	2636
<I/σ(I)>	16.9	1.4
Completeness [%]	99.8	95.2
Redundancy	9.8	8.9
CC(1/2)	0.999	0.470

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	2.0M ammonium sulfate, 3% isopropanol