3T5S

Structure of macrophage migration inhibitory factor from Giardia lamblia

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS BEAMLINE X29A
Synchrotron site	NSLS
Beamline	X29A
Temperature [K]	100
Detector technology	CCD
Collection date	2011-04-15
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.54
Spacegroup name	I 21 3
Unit cell lengths	95.550, 95.550, 95.550
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.010 - 2.300
R-factor	0.223
Rwork	0.221
R-free	0.26800
Structure solution method	SAD
RMSD bond length	0.012
RMSD bond angle	1.631
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.360
High resolution limit [Å]	2.300	2.300
Rmerge	0.032	0.441
Number of reflections	6594
<I/σ(I)>	33.86	4.4
Completeness [%]	100.0	100
Redundancy	7.2	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.5	290	EMERALD BIOSYSTEMS PRECIPITANT SYNERGY 15: 2 M LITHIUM SULFATE, 5% ISOPROPANOL, 0.1 M ACETATE PH 4.5, 0.1 M MGSO4; GILAA.00834.A.A1 AT 4 MG/ML, PH 6.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K
1	VAPOR DIFFUSION, SITTING DROP	4.5	290	EMERALD BIOSYSTEMS PRECIPITANT SYNERGY 15: 2 M LITHIUM SULFATE, 5% ISOPROPANOL, 0.1 M ACETATE PH 4.5, 0.1 M MGSO4; GILAA.00834.A.A1 AT 4 MG/ML, PH 6.5, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 290K