5HZ6

FABP4 in complex with 6-Chloro-2-isopropyl-4-(3-isopropyl-phenyl)-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	2011-03-30
Detector	PSI PILATUS 6M
Wavelength(s)	1.000000
Spacegroup name	P 2 21 21
Unit cell lengths	31.753, 53.256, 72.193
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.860 - 1.140
R-factor	0.13772
Rwork	0.136
R-free	0.17342
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	IN-HOUSE STRUCTURE
RMSD bond length	0.017
RMSD bond angle	1.905
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	REFMAC (5.6.0112)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.860	1.240
High resolution limit [Å]	1.140	1.140
Rmerge	0.066	0.607
Number of reflections	44583
<I/σ(I)>	10.27	2.04
Completeness [%]	97.9	94.3
Redundancy	6.16	5.71
CC(1/2)	0.999

Crystallization Conditions

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