5Y0F

Crystal structure of human FABP4 complexed with ligand 2-fluoro-5-((4-methoxynaphthalene)-1-sulfonamido) benzoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-28
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.9778
Spacegroup name	P 21 21 21
Unit cell lengths	32.370, 53.690, 75.250
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.700 - 1.540
R-factor	0.1731
Rwork	0.173
R-free	0.18230
RMSD bond length	0.005
RMSD bond angle	0.715
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.700	1.580
High resolution limit [Å]	1.540	1.540
Rmerge		0.310
Rpim		0.370
Number of reflections	36692	2333
<I/σ(I)>	17.28	3.28
Completeness [%]	98.4	85.6
Redundancy	3.34	2.7
CC(1/2)		0.909

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	1.6M trisodium citrate, PH6.5