5UZY

Crystal structure of N97A 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	68.134, 68.269, 86.392
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.230 - 1.710
R-factor	0.1567
Rwork	0.156
R-free	0.17850
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3djh
RMSD bond length	0.026
RMSD bond angle	2.023
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	1.740
High resolution limit [Å]	1.710	4.640	1.710
Rmerge	0.066	0.056	0.199
Rmeas	0.072	0.060	0.240
Rpim	0.028	0.021	0.132
Total number of observations	209624
Number of reflections	44201		2162
<I/σ(I)>	8.1
Completeness [%]	99.7	100	99.4
Redundancy	4.7	7.8	3
CC(1/2)		0.994	0.946

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