5V73

Crystal structure of N110A 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	2017-01-25
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	67.918, 68.253, 86.898
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.140 - 1.680
R-factor	0.1528
Rwork	0.152
R-free	0.17530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3djh
RMSD bond length	0.022
RMSD bond angle	2.005
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.710
High resolution limit [Å]	1.680	4.560	1.680
Rmerge	0.060	0.051	0.303
Rmeas	0.067	0.056	0.371
Rpim	0.029	0.021	0.210
Total number of observations	173933
Number of reflections	45605		2149
<I/σ(I)>	11
Completeness [%]	97.5	99.6	92.7
Redundancy	3.8	6.1	2.6
CC(1/2)		0.997	0.707

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2 M ammonium sulfate, 3 % 2-propanol, 0.1 M Tris-HCl, pH 7.0 - 8.0