8SPN

Crystal structure of macrophage migration inhibitory factor in complex with T614

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-12-08
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	67.677, 67.944, 88.371
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.180 - 1.730
R-factor	0.1752
Rwork	0.174
R-free	0.20246
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.027
RMSD bond angle	2.371
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.760
High resolution limit [Å]	1.730	4.690	1.730
Rmerge		0.036	0.118
Rmeas	0.054	0.042	0.138
Rpim	0.026	0.022	0.069
Number of reflections	43220	2345	2119
<I/σ(I)>	16.6
Completeness [%]	99.5	98.8	98.2
Redundancy	3.9	3.4	3.6
CC(1/2)		0.995	0.976

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	2 M ammonium sulfate, 3 % 2-propanol, 0.1 M Tris-HCl, pH 7.5