6OYE

Crystal structure of Y99F 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	2018-12-12
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	68.092, 68.113, 86.737
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.160 - 1.530
R-factor	0.147
Rwork	0.146
R-free	0.16810
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3djh
RMSD bond length	0.016
RMSD bond angle	1.760
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.560
High resolution limit [Å]	1.530	4.150	1.530
Rmerge	0.035	0.018	0.300
Rmeas	0.038	0.019	0.337
Rpim	0.013	0.005	0.147
Total number of observations	409681
Number of reflections	60854	3332	2881
<I/σ(I)>	14.6
Completeness [%]	98.8	100	95
Redundancy	6.7	13	4.3
CC(1/2)		1.000	0.935

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