4GUM

Cystal structure of locked-trimer of human MIF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X25
Synchrotron site	NSLS
Beamline	X25
Temperature [K]	100
Detector technology	PIXEL
Collection date	2011-12-10
Detector	PSI PILATUS 6M
Spacegroup name	P 21 21 21
Unit cell lengths	50.315, 100.381, 199.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.790 - 2.330
R-factor	0.225
Rwork	0.222
R-free	0.27200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.003
RMSD bond angle	0.648
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.7.3_928))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.410
High resolution limit [Å]	2.330	2.330
Rmerge	0.089	0.597
Number of reflections	43492
<I/σ(I)>	22.94	4.95
Completeness [%]	98.7	99.1
Redundancy	10.9	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		8	293	0.2M LiSO4, 3% DMSO, pH8.0, 33% PEG4000 , VAPOR DIFFUSION, HANGING DROP, temperature 293K