7X4J

The 0.96 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with arachidic 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	2013-07-09
Detector	RAYONIX MX300HE
Wavelength(s)	0.800
Spacegroup name	P 21 21 21
Unit cell lengths	54.587, 69.710, 33.861
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.200 - 0.960
R-factor	0.11602
Rwork	0.115
R-free	0.13491
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wvm
RMSD bond length	0.024
RMSD bond angle	2.324
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]	42.970	0.980
High resolution limit [Å]	0.960	0.960
Rmerge	0.054	0.387
Number of reflections	78560	3912
<I/σ(I)>	10.3	3.9
Completeness [%]	98.2
Redundancy	10.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.1M Tris-HCl (pH8.0), 45% PEG 400