7FG5

Room temperature structure of the human heart fatty acid-binding protein complexed with capric acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	295
Detector technology	CCD
Collection date	2014-11-13
Detector	RAYONIX MX225HE
Wavelength(s)	0.90000
Spacegroup name	P 21 21 21
Unit cell lengths	55.147, 70.948, 34.511
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.540 - 1.300
R-factor	0.14884
Rwork	0.147
R-free	0.17840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tjz
RMSD bond length	0.017
RMSD bond angle	1.875
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	1.320
High resolution limit [Å]	1.300	1.300
Rpim	0.030	0.267
Number of reflections	33797	1532
<I/σ(I)>	9.4	1.6
Completeness [%]	98.9
Redundancy	7.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1M Tris-HCl (pH8.5), 55% PEG 400