7XBC

The 0.92 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with lignoceric 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	54.718, 69.909, 33.635
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.170 - 0.920
R-factor	0.11667
Rwork	0.116
R-free	0.12572
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wvm
RMSD bond length	0.014
RMSD bond angle	1.874
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]	43.080	0.940
High resolution limit [Å]	0.920	0.920
Rmerge	0.067	0.406
Number of reflections	88825	4455
<I/σ(I)>	9.3	3.7
Completeness [%]	98.4
Redundancy	11.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M Mes-NaOH (pH6.5), 50% PEG 400