5V70

Crystal structure of N102A 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	2017-01-17
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	67.975, 68.078, 86.332
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.100 - 1.940
R-factor	0.158
Rwork	0.156
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3djh
RMSD bond length	0.017
RMSD bond angle	1.860
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	1.970
High resolution limit [Å]	1.940	5.260	1.940
Rmerge	0.121	0.059	0.264
Rmeas		0.063	0.305
Rpim		0.022	0.151
Number of reflections	30324		1475
<I/σ(I)>	4.6
Completeness [%]	99.8	100	99.7
Redundancy	5.8	7.6	3.7
CC(1/2)		0.990	0.934

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