7WPU

The 0.95 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with undecanoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-06-25
Detector	RAYONIX MX300HE
Wavelength(s)	0.9000
Spacegroup name	P 21 21 21
Unit cell lengths	54.657, 69.908, 33.710
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.280 - 0.950
R-factor	0.10405
Rwork	0.104
R-free	0.11316
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wvm
RMSD bond length	0.021
RMSD bond angle	2.013
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]	43.050	0.970
High resolution limit [Å]	0.950	0.950
Rmerge	0.060	0.372
Number of reflections	81542	3967
<I/σ(I)>	7	2.6
Completeness [%]	99.1
Redundancy	12.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	9	293	0.1M Glycin-NaOH (pH9.0), 55% PEG 400