5EIZ

Crystal structure of Y99A 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	2015-04-30
Detector	DECTRIS PILATUS 200K
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	67.696, 67.958, 86.519
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.960 - 1.960
R-factor	0.1579
Rwork	0.157
R-free	0.18110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3djh
RMSD bond length	0.022
RMSD bond angle	1.820
Data reduction software	DENZO
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	1.990
High resolution limit [Å]	1.960	5.320	1.960
Rmerge	0.039	0.034	0.059
Rmeas	0.045	0.039	0.070
Rpim	0.021	0.020	0.036
Total number of observations	121998
Number of reflections	28977
<I/σ(I)>	24.6
Completeness [%]	99.1	99.2	94.8
Redundancy	4.2	3.6	3.3
CC(1/2)		0.997	0.993

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