5Y0G

Crystal structure of human FABP4 complexed with ligand 4-Fluoro-3-((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)	0.9775
Spacegroup name	P 21 21 21
Unit cell lengths	32.380, 53.670, 75.260
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.697 - 1.542
R-factor	0.175
Rwork	0.174
R-free	0.20460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nns
RMSD bond length	0.013
RMSD bond angle	1.193
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		0.340
Rpim		0.410
Number of reflections	36585	2467
<I/σ(I)>	15.08	3.75
Completeness [%]	98.0	89.8
Redundancy	3.29	2.54
CC(1/2)		0.899

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	1.6 M sodium citrate, pH 6.5