7G1B

Crystal Structure of human FABP4 in complex with 2-[1-[(3-chlorophenyl)methyl]indol-2-yl]cyclopropane-1-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	2010-06-25
Detector	PSI PILATUS 6M
Wavelength(s)	1.000000
Spacegroup name	P 21 21 21
Unit cell lengths	32.545, 53.992, 75.074
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.840 - 1.170
R-factor	0.1488
Rwork	0.147
R-free	0.17310
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
RMSD bond length	0.016
RMSD bond angle	1.927
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0403)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.820	30.840	1.200
High resolution limit [Å]	1.170	5.250	1.170
Rmerge	0.033	0.019	0.372
Rmeas	0.036	0.021	0.420
Total number of observations	272892
Number of reflections	44617	601	2878
<I/σ(I)>	24.06	62.21	3.76
Completeness [%]	98.8	99.3	87.6
Redundancy	6.116	6.065	4.421
CC(1/2)	1.000	0.999	0.914

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