4WBK

The 1.37 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with stearic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-10
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9
Spacegroup name	P 21 21 21
Unit cell lengths	54.645, 68.807, 33.620
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.790 - 1.370
R-factor	0.15436
Rwork	0.153
R-free	0.17587
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.023
RMSD bond angle	2.107
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.390
High resolution limit [Å]	1.370	1.370
Rmerge	0.080	0.469
Number of reflections	26772
<I/σ(I)>	8.1	1.9
Completeness [%]	97.7	79.4
Redundancy	6.5	3.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	293	0.1M Tris-HCl, 38% PEG3350