3STK

Crystal Structure of human LFABP complex with two molecules of palmitic acid (holo-LFABP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2010-05-05
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.54
Spacegroup name	P 21 21 21
Unit cell lengths	30.283, 57.097, 74.861
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.193 - 1.550
R-factor	0.2084
Rwork	0.207
R-free	0.23010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.022
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	PHENIX (1.7.1_743)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.600
High resolution limit [Å]	1.540	3.320	1.540
Rmerge	0.046	0.043	0.385
Number of reflections	18383
<I/σ(I)>	24
Completeness [%]	92.2	88.5	71.8
Redundancy	10.7	9.5	9.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	293	0.15M potassium bromide, 30% polyethylene glycol monomethyl ether (PEG MME) 2000, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K