6OYG

Crystal structure of H62F 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	2018-12-11
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	68.084, 68.263, 86.966
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.210 - 1.550
R-factor	0.1197
Rwork	0.118
R-free	0.15380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3djh
RMSD bond length	0.017
RMSD bond angle	1.751
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	1.580
High resolution limit [Å]	1.550	4.210	1.550
Rmerge	0.047	0.042	0.225
Rmeas	0.050	0.044	0.255
Rpim	0.016	0.012	0.118
Total number of observations	410559
Number of reflections	59338	3214	2884
<I/σ(I)>	18.1
Completeness [%]	99.7	100	98.7
Redundancy	6.9	13.5	4.5
CC(1/2)		0.999	0.953

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