5Y13

Crystal structure of human FABP4 complexed with ligand 5-((4-bromonaphthalene)-1-sulfonamido)pentanoic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2013-01-27
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.0000
Spacegroup name	P 21 21 21
Unit cell lengths	32.690, 53.640, 75.360
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.990 - 1.750
R-factor	0.1801
Rwork	0.176
R-free	0.21910
RMSD bond length	0.006
RMSD bond angle	1.075
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	29.990	29.990	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.033	0.029	0.073
Rmeas	0.039	0.035	0.086
Total number of observations	92294
Number of reflections	25254	137	1837
<I/σ(I)>	27.22	33.87	13.64
Completeness [%]	97.9	47.9	95.9
Redundancy	3.655	2.883	3.483
CC(1/2)	0.998	0.997	0.996

Crystallization Conditions

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