5UMJ

Crystal structure of H62A 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	2016-12-30
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	67.993, 68.217, 86.411
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.160 - 1.610
R-factor	0.1545
Rwork	0.153
R-free	0.17930
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3djh
RMSD bond length	0.025
RMSD bond angle	2.141
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	1.640
High resolution limit [Å]	1.610	4.370	1.610
Rmerge	0.054	0.054	0.112
Rmeas	0.059	0.059	0.140
Rpim	0.022	0.023	0.081
Total number of observations	256156
Number of reflections	52564		2530
<I/σ(I)>	24.1
Completeness [%]	99.6	100	96.9
Redundancy	4.9	6.4	2.5
CC(1/2)		0.994	0.970

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