9LVQ

Room temperature structure of the human heart fatty acid-binding protein complexed with octanoic 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	55.173, 70.906, 34.535
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.290 - 1.100
R-factor	0.18276
Rwork	0.181
R-free	0.21087
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7wd6
RMSD bond length	0.017
RMSD bond angle	1.991
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]	43.540	1.120
High resolution limit [Å]	1.100	1.100
Rmerge	0.084	0.485
Rpim	0.039	0.273
Number of reflections	55241	2654
<I/σ(I)>	10.9	2.1
Completeness [%]	98.8
Redundancy	5.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1 M Tris-HCl (pH8.5), 60%PEG400