5EDC

human FABP4 in complex with 6-Chloro-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid at 1.29A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2010-11-12
Detector	PSI PILATUS 6M
Wavelength(s)	1.000000
Spacegroup name	P 21 21 21
Unit cell lengths	32.414, 53.600, 74.488
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.510 - 1.290
R-factor	0.1573
Rwork	0.156
R-free	0.18930
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.510		1.270
High resolution limit [Å]	1.240	5.550	1.240
Rmerge	0.055	0.031	1.507
Rmeas	0.060	0.034	1.704
Total number of observations	228777
Number of reflections	37129	505	2316
<I/σ(I)>	12.86	39.32	0.85
Completeness [%]	98.6	99.2	84.5
Redundancy	6.08
CC(1/2)	0.999	0.999	0.408

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M HEPES/NaOH pH 7.5, 2.0-2.2 M ammonium sulfate