7XHM

The 0.88 angstrom X-ray structure of the human heart fatty acid-binding protein complexed with behenic 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	2013-10-27
Detector	RAYONIX MX300HE
Wavelength(s)	0.800
Spacegroup name	P 21 21 21
Unit cell lengths	54.615, 70.020, 33.873
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	18.180 - 0.880
R-factor	0.13177
Rwork	0.131
R-free	0.14555
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wvm
RMSD bond length	0.013
RMSD bond angle	1.957
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	0.900
High resolution limit [Å]	0.880	0.880
Rmerge	0.093	0.391
Number of reflections	99822	5048
<I/σ(I)>	10.8	2.6
Completeness [%]	96.2
Redundancy	3.4

Crystallization Conditions

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