7V5U

The 0.92 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with 2-cyclohexadecylacetic acid (CYC16AA)

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	2015-05-18
Detector	RAYONIX MX300HE
Wavelength(s)	0.800
Spacegroup name	P 21 21 21
Unit cell lengths	54.519, 69.330, 33.740
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	26.520 - 0.920
R-factor	0.11524
Rwork	0.114
R-free	0.13107
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4wbk
RMSD bond length	0.024
RMSD bond angle	2.183
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	0.940
High resolution limit [Å]	0.920	0.920
Rpim	0.020	0.260
Number of reflections	84361	3805
<I/σ(I)>	16.2	2.1
Completeness [%]	94.1
Redundancy	4.9

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