7FDX

X-ray structure of the human heart fatty acid-binding protein complexed with the fluorescent probe 8-Anilino-1-naphthalenesulfonic acid (ANS)

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	2013-12-08
Detector	RAYONIX MX300HE
Wavelength(s)	0.800
Spacegroup name	P 21 21 21
Unit cell lengths	54.761, 70.038, 33.827
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.630 - 0.950
R-factor	0.11859
Rwork	0.117
R-free	0.13913
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wbg
RMSD bond length	0.020
RMSD bond angle	2.129
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	0.970
High resolution limit [Å]	0.950	0.950
Rmerge	0.103	0.395
Number of reflections	81918	4005
<I/σ(I)>	7.9	2.9
Completeness [%]	98.9
Redundancy	6.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1M Tris-HCl (pH8.0), 50% PEG 400