9M1X

X-ray structure of human heart fatty acid-binding protein at 0.80 A resolution (holo-FABP3)

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	2013-07-19
Detector	RAYONIX MX300HE
Wavelength(s)	0.800
Spacegroup name	P 21 21 21
Unit cell lengths	54.604, 69.822, 33.846
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.310 - 0.800
R-factor	0.12747
Rwork	0.127
R-free	0.13993
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.982
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.010	0.810
High resolution limit [Å]	0.800	0.800
Rmerge	0.113	0.680
Number of reflections	135972	6356
<I/σ(I)>	11.8	2.5
Completeness [%]	99.3
Redundancy	9.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	0.1M Tris-HCl (pH8.5), 50% PEG 400