5BS9

Crystal structure of N109A mutant of human macrophage migration inhibitory factor

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	93
Detector technology	PIXEL
Collection date	2015-04-29
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	67.682, 67.820, 86.068
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.910 - 1.980
R-factor	0.1592
Rwork	0.158
R-free	0.18510
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3djh
RMSD bond length	0.019
RMSD bond angle	1.809
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	2.010
High resolution limit [Å]	1.980	5.370	1.980
Rmerge	0.017	0.010	0.028
Rmeas	0.020	0.013	0.034
Rpim	0.010	0.007	0.019
Total number of observations	93057
Number of reflections	28104
<I/σ(I)>	25.8
Completeness [%]	99.4	96.3	99.6
Redundancy	3.3	2.8	2.9
CC(1/2)		0.999	0.996

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