5HZ8

FABP4_3 in complex with 6,8-Dichloro-4-phenyl-2-piperidin-1-yl-quinoline-3-carboxylic acid

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	2011-02-14
Detector	PSI PILATUS 6M
Wavelength(s)	0.999900
Spacegroup name	P 21 21 21
Unit cell lengths	35.400, 55.768, 74.373
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.960 - 1.120
R-factor	0.14499
Rwork	0.144
R-free	0.17088
RMSD bond length	0.024
RMSD bond angle	2.147
Data reduction software	XDS
Data scaling software	SADABS
Phasing software	REFMAC (5)
Refinement software	REFMAC (5)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	32.000		1.150
High resolution limit [Å]	1.120	5.020	1.120
Rmerge	0.041	0.024	0.386
Number of reflections	56631
<I/σ(I)>	17.6	58.29	3.1
Completeness [%]	99.0	99.3	88.5
Redundancy	5.81		3.8
CC(1/2)	1.000

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295