7FW1

Crystal Structure of human FABP4 in complex with 2-cyclopentyl-4-(4-fluorophenyl)-6-[1-(methoxymethyl)cyclopentyl]-3-methyl-5-(1H-tetrazol-5-yl)pyridine

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	2012-09-17
Detector	PSI PILATUS 6M
Wavelength(s)	0.700010
Spacegroup name	P 21 21 21
Unit cell lengths	32.561, 54.055, 74.793
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.750 - 1.260
R-factor	0.1684
Rwork	0.166
R-free	0.21690
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
RMSD bond length	0.018
RMSD bond angle	2.023
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0029)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.750	30.750	1.290
High resolution limit [Å]	1.260	5.630	1.260
Rmerge	0.073	0.044	1.187
Rmeas	0.079	0.048	1.289
Total number of observations	228727
Number of reflections	36410	485	2641
<I/σ(I)>	12.18	33.42	1.51
Completeness [%]	99.7	98.8	99.6
Redundancy	6.282	5.825	6.493
CC(1/2)	0.997	0.998	0.627

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