7FG1

The 0.93 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with tridecanoic 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	2013-11-11
Detector	RAYONIX MX300HE
Wavelength(s)	0.800
Spacegroup name	P 21 21 21
Unit cell lengths	54.537, 69.529, 34.000
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.320 - 0.930
R-factor	0.12899
Rwork	0.128
R-free	0.14321
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4tjz
RMSD bond length	0.018
RMSD bond angle	2.108
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	0.950
High resolution limit [Å]	0.930	0.930
Rmerge	0.114	0.398
Number of reflections	86062	4331
<I/σ(I)>	7.4	2.8
Completeness [%]	98.1
Redundancy	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	277	0.1M Tris-HCl (pH8.5), 55% PEG 400