5EDB

human fatty acid binding protein 4 in complex with 6-Chloro-2-methyl-4-phenyl-quinoline-3-carboxylic acid at 1.18A

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	2010-06-25
Detector	PSI PILATUS 6M
Wavelength(s)	1.000000
Spacegroup name	P 21 21 21
Unit cell lengths	32.297, 54.025, 75.462
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.700 - 1.180
Rwork	0.148
R-free	0.17730
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]	43.930		1.210
High resolution limit [Å]	1.180	5.260	1.180
Rmerge	0.044	0.027	0.558
Rmeas	0.048	0.030	0.631
Total number of observations	272461
Number of reflections	44284	587	2932
<I/σ(I)>	18.31	47.12	2.62
Completeness [%]	98.7	98	89.5
Redundancy	6.13
CC(1/2)	0.999	0.998	0.839

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		295	0.1 M HEPES/NaOH pJ 7.5, 2-2.2 M ammonium sulfate