4XX7

Crystal structure of M2A 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	IMAGE PLATE
Collection date	2015-01-09
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.5418
Spacegroup name	P 21 21 21
Unit cell lengths	67.829, 68.153, 87.062
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.530 - 1.770
R-factor	0.161
Rwork	0.160
R-free	0.18680
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3djh
RMSD bond length	0.021
RMSD bond angle	1.975
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.800
High resolution limit [Å]	1.770	4.800	1.770
Rmerge	0.054	0.050	0.325
Rmeas	0.056	0.052	0.338
Rpim	0.015	0.014	0.090
Total number of observations	561171
Number of reflections	39379
<I/σ(I)>	22.2
Completeness [%]	98.5	99	96.7
Redundancy	14.3	13.6	13.4
CC(1/2)		0.995	0.970

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	2 M ammonium Sulphate, 3% 2-propanol, 20 mM Tris.HCl, pH 7.5