3WBG

Structure of the human heart fatty acid-binding protein in complex with 1-anilinonaphtalene-8-sulphonic 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
Detector	RAYONIX MX-225
Wavelength(s)	0.9
Spacegroup name	C 1 2 1
Unit cell lengths	127.157, 29.359, 140.689
Unit cell angles	90.00, 112.47, 90.00

Refinement procedure

Resolution	29.850 - 2.150
R-factor	0.2214
Rwork	0.218
R-free	0.29120
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.821
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	REFMAC

Data quality characteristics

	Overall
Low resolution limit [Å]	50.000
High resolution limit [Å]	2.140
Rmerge	0.063
Number of reflections	24494
<I/σ(I)>	7.7
Completeness [%]	90.0
Redundancy	3.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	293	100mM MES, 30% PEG3350, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K
1	VAPOR DIFFUSION, SITTING DROP	6	293	100mM MES, 30% PEG3350, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 293K