5BSC

Crystal structure of K66A 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	2015-05-05
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	67.275, 67.771, 87.535
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.750 - 1.890
R-factor	0.1994
Rwork	0.198
R-free	0.21820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3djh
RMSD bond length	0.019
RMSD bond angle	1.681
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0107)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.920
High resolution limit [Å]	1.890	5.130	1.890
Rmerge	0.056	0.048	0.125
Rmeas	0.065	0.056	0.145
Rpim	0.032	0.029	0.072
Total number of observations	122999
Number of reflections	32569
<I/σ(I)>	15.9
Completeness [%]	99.5	96.6	99.6
Redundancy	3.8	3.2	3.5
CC(1/2)		0.985	0.972

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