7FCX

Room temperature structure of the human heart fatty acid-binding protein complexed with hexanoic 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	2015-02-02
Detector	RAYONIX MX225HE
Wavelength(s)	0.900
Spacegroup name	P 21 21 21
Unit cell lengths	55.240, 71.078, 34.599
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.910 - 1.150
R-factor	0.15739
Rwork	0.155
R-free	0.19693
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tjz
RMSD bond length	0.017
RMSD bond angle	1.942
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	1.170
High resolution limit [Å]	1.150	1.150
Rpim	0.037	0.311
Number of reflections	48996	2303
<I/σ(I)>	10.2	2
Completeness [%]	99.4
Redundancy	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.1M Tris-HCl (pH8.5), 50% PEG 400