6BG7

Crystal structure of G107A mutant of human macrophage migration inhibitory factor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-10-02
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 31 2 1
Unit cell lengths	95.863, 95.863, 103.712
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	47.930 - 2.540
R-factor	0.1998
Rwork	0.198
R-free	0.22540
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3djh
RMSD bond length	0.015
RMSD bond angle	1.684
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	2.590
High resolution limit [Å]	2.540	6.920	2.550
Rmerge	0.082	0.071	0.384
Rmeas	0.099	0.086	0.476
Rpim	0.054	0.048	0.274
Number of reflections	15576	778	754
<I/σ(I)>	8.2
Completeness [%]	83.7	75.5	83
Redundancy	2.6	2.4	2.4
CC(1/2)		0.976	0.812

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