5B4O

Crystal structure of Macrophage Migration Inhibitory Factor in complex with BTZO-14

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2007-08-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 31 2 1
Unit cell lengths	95.194, 95.194, 103.296
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	43.770 - 1.370
R-factor	0.184
Rwork	0.183
R-free	0.19800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ooh
RMSD bond length	0.011
RMSD bond angle	1.300
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	CNX
Refinement software	CNX (2005)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.400
High resolution limit [Å]	1.370	1.370
Rmerge	0.044
Number of reflections	113585
<I/σ(I)>	37.67
Completeness [%]	99.8
Redundancy	6.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	2.4M ammonium sulfate, 0.1M bicine pH 9.0 , 2.4 mM BTZO-14