7FXJ

Crystal Structure of human FABP4 in complex with 1-[(4-chlorophenyl)methyl]-3,4-dihydroxy-2H-pyrrol-5-one

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	2010-10-19
Detector	PSI PILATUS 6M
Wavelength(s)	0.800000
Spacegroup name	P 21 21 21
Unit cell lengths	32.449, 53.806, 74.976
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.490 - 1.030
R-factor	0.1446
Rwork	0.143
R-free	0.17130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
RMSD bond length	0.026
RMSD bond angle	2.335
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.6.0081)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.760	37.490	1.060
High resolution limit [Å]	1.030	4.610	1.030
Rmerge	0.055	0.025	1.566
Rmeas	0.060	0.027	1.702
Total number of observations	418999
Number of reflections	65060	860	4614
<I/σ(I)>	14.26	53.65	1.23
Completeness [%]	98.9	99.5	96.4
Redundancy	6.44	6.216	6.457
CC(1/2)	0.999	0.999	0.541

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