6OY8

Crystal structure of Y99G mutant of human macrophage migration inhibitory factor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-12-19
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	67.950, 68.079, 86.919
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.090 - 1.530
R-factor	0.15346
Rwork	0.152
R-free	0.17531
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3djh
RMSD bond length	0.015
RMSD bond angle	1.832
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.560
High resolution limit [Å]	1.530	1.530
Rmeas	0.051	0.276
Rpim	0.170	0.133
Number of reflections	61539	3012
<I/σ(I)>	39.5
Completeness [%]	99.9	99.2
Redundancy	6.6	4.2
CC(1/2)	1.000	0.936

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