5Y12

Crystal structure of human FABP4 complexed with ligand 5-((4-methoxynaphthalene)-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	32.560, 53.610, 75.420
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.710 - 1.750
R-factor	0.1727
Rwork	0.170
R-free	0.20030
RMSD bond length	0.006
RMSD bond angle	1.017
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]	37.710	37.710	1.800
High resolution limit [Å]	1.750	7.830	1.750
Rmerge	0.044	0.029	0.170
Rmeas	0.052	0.035	0.203
Total number of observations	95072
Number of reflections	25482	239	1889
<I/σ(I)>	20.27	34.46	7.42
Completeness [%]	99.1	83.6	97.7
Redundancy	3.731	3.402	3.4
CC(1/2)	0.998	0.998	0.972

Crystallization Conditions

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