3WVM

The 0.88 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 BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2013-04-12
Detector	RAYONIX MX225HE
Wavelength(s)	0.80000
Spacegroup name	P 21 21 21
Unit cell lengths	54.557, 69.418, 33.812
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.890 - 0.880
R-factor	0.1079
Rwork	0.108
R-free	0.11267
Structure solution method	FOURIER SYNTHESIS
RMSD bond length	0.023
RMSD bond angle	2.385
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	CCP4
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	0.990	0.900
High resolution limit [Å]	0.880	0.970	0.880
Rmerge	0.066	0.251	0.423
Number of reflections	100773
<I/σ(I)>			2.45
Completeness [%]	98.6	99	87
Redundancy	12.4	11.9	6.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	55%(v/v) PEG400, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K