5B29

The 1.28A structure of human FABP3 F16V mutant complexed with palmitic acid at room temperature

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL38B1
Synchrotron site	SPring-8
Beamline	BL38B1
Temperature [K]	296
Detector technology	CCD
Collection date	2015-06-18
Detector	RAYONIX MX225HE
Wavelength(s)	0.9000
Spacegroup name	P 21 21 21
Unit cell lengths	55.220, 71.018, 34.555
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.070 - 1.280
R-factor	0.163
Rwork	0.161
R-free	0.19900
RMSD bond length	0.009
RMSD bond angle	1.014
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	31.070	1.300
High resolution limit [Å]	1.280	1.280
Rmerge	0.122	0.745
Number of reflections	35762
<I/σ(I)>	8.6	2.1
Completeness [%]	99.7	99.4
Redundancy	6.8	4.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8	277	0.1M Tris-HCl (pH8.0), 45-55% (v/v) PEG 400