4TKH

The 0.93 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with myristic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2013-10-27
Detector	RAYONIX MX300HE
Wavelength(s)	0.80000
Spacegroup name	P 21 21 21
Unit cell lengths	54.568, 69.475, 33.835
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.910 - 0.930
R-factor	0.11575
Rwork	0.115
R-free	0.12559
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.022
RMSD bond angle	2.311
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	0.950
High resolution limit [Å]	0.930	0.930
Rmerge		0.399
Number of reflections	86123
<I/σ(I)>	10.1	3.49
Completeness [%]	98.9	97.9
Redundancy	11.6	8.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1M Tris-HCl, 55%(v/v) PEG400