7FZX

Crystal Structure of human FABP4 in complex with (2S)-6-(4-chlorophenoxy)-2-(4-methylphenoxy)hexanoic 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	2011-11-28
Detector	PSI PILATUS 6M
Wavelength(s)	0.700000
Spacegroup name	P 21 21 21
Unit cell lengths	32.514, 53.749, 75.204
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.730 - 1.070
R-factor	0.1488
Rwork	0.147
R-free	0.17790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
RMSD bond length	0.024
RMSD bond angle	2.244
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.6.0119)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	43.730	43.730	1.100
High resolution limit [Å]	1.070	4.790	1.070
Rmerge	0.063	0.023	1.349
Rmeas	0.073	0.026	1.465
Total number of observations	383987
Number of reflections	59037	781	4299
<I/σ(I)>	11.25	57.75	1.39
Completeness [%]	100.0	99.7	100
Redundancy	6.49	6.204	6.605
CC(1/2)	0.999	0.999	0.555

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	protein in 25mM Tris/HCl pH 7.5 100mM NaCl, see also PMID 27658368