6OYB

Crystal structure of H62G 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	2018-12-27
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	67.990, 68.211, 87.002
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.150 - 1.530
R-factor	0.1159
Rwork	0.113
R-free	0.16120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3djh
RMSD bond length	0.018
RMSD bond angle	1.759
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	0.052	0.047	0.331
Rmeas	0.055	0.048	0.366
Rpim	0.016	0.012	0.154
Total number of observations	533218
Number of reflections	61780	3332	3048
<I/σ(I)>	17.6
Completeness [%]	100.0	100	99.8
Redundancy	8.6	16.9	5.4
CC(1/2)		0.999	0.928

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