7XVX

Neutron crystal structure of human macrophage migration inhibitory factor

Experimental procedure

Experimental method	LAUE
Source type	SPALLATION SOURCE
Source details	J-PARC MLF BEAMLINE BL-03
Synchrotron site	JPARC MLF
Beamline	BL-03
Temperature [K]	293
Detector technology	DIFFRACTOMETER
Collection date	2020-06-24
Detector	iBIX
Wavelength(s)	3.05-5.47
Spacegroup name	P 31 2 1
Unit cell lengths	96.534, 96.534, 105.596
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.000
Rwork	0.180
R-free	0.20000
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7xtx
RMSD bond length	0.041
RMSD bond angle	1.556
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	PHENIX (1.17.1_3660)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.270	2.110	1.630
High resolution limit [Å]	1.600	2.000	1.600
Number of reflections	75394	5589	3674
<I/σ(I)>	14.7
Completeness [%]	99.9
Redundancy	10
CC(1/2)	0.996	0.431	0.923

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		283	0.49 M Monosodium phosphate, 0.91 M Dipotassium phosphate
1	VAPOR DIFFUSION, SITTING DROP		283	0.49 M Monosodium phosphate, 0.91 M Dipotassium phosphate