5TVI

Crystal structure of non-specific lipid transfer protein reveals non-canonical lipid binding: possible relevance in modulating allergenicity

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE BM14
Synchrotron site	ESRF
Beamline	BM14
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-27
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.95372, 1.77120
Spacegroup name	P 61
Unit cell lengths	87.480, 87.480, 49.670
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	32.826 - 1.870
R-factor	0.1877
Rwork	0.184
R-free	0.22540
Structure solution method	SAD
RMSD bond length	0.010
RMSD bond angle	1.380
Phasing software	PHENIX (1.8.1)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	32.826	1.910
High resolution limit [Å]	1.870	1.870
Rmerge	0.061	0.433
Number of reflections	18069
<I/σ(I)>	20.9	5.2
Completeness [%]	99.9	100
Redundancy	9.4	9.3
CC(1/2)	0.999	0.939

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	0.05M Zinc acetate dihydrate, 20% w/v polyethylene glycol 3350