5HZ5

FABP5 in complex with 6-Chloro-4-phenyl-2-piperidin-1-yl-3-(1H-tetrazol-5-yl)-quinoline

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	2011-02-01
Detector	PSI PILATUS 6M
Wavelength(s)	1.000000
Spacegroup name	P 43 21 2
Unit cell lengths	62.790, 62.790, 75.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.399 - 1.400
R-factor	0.2089
Rwork	0.208
R-free	0.22770
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	REFMAC
Refinement software	PHENIX (1.10_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.240		1.440
High resolution limit [Å]	1.400	6.260	1.400
Rmerge	0.115	0.047	2.214
Number of reflections	29968
<I/σ(I)>	15.12	47.59	0.84
Completeness [%]	98.8	100	97.4
Redundancy	13		13.8
CC(1/2)	0.999

Crystallization Conditions

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