5HZ9

human FABP3 in complex with 6-Chloro-2-methyl-4-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	2010-09-14
Detector	PSI PILATUS 6M
Wavelength(s)	0.999900
Spacegroup name	P 43 21 2
Unit cell lengths	186.827, 186.827, 114.204
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.187 - 2.300
R-factor	0.1995
Rwork	0.197
R-free	0.23890
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	In-house model
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.700		2.240
High resolution limit [Å]	2.180	9.750	2.180
Rmerge	0.139	0.024	3.612
Number of reflections	89756
<I/σ(I)>	14.43	61.29	0.66
Completeness [%]	99.9	97.9	99.8
Redundancy	13.5
CC(1/2)	0.999

Crystallization Conditions

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