7WPW

The 0.97 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with pentadecanoic 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	2012-11-14
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9000
Spacegroup name	P 21 21 21
Unit cell lengths	54.641, 69.629, 33.903
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.200 - 0.970
R-factor	0.10206
Rwork	0.101
R-free	0.11307
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wvm
RMSD bond length	0.015
RMSD bond angle	1.901
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]	42.980	0.990
High resolution limit [Å]	0.970	0.970
Rmerge	0.060	0.378
Number of reflections	76244	3658
<I/σ(I)>	9.3	3.2
Completeness [%]	98.7
Redundancy	12.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1M Tris-HCl (pH8.5), 60% PEG 400