7FXL

Crystal Structure of human FABP4 binding site mutated to that of FABP5 in complex with myristic 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	2011-07-10
Detector	PSI PILATUS 6M
Wavelength(s)	0.999800
Spacegroup name	P 2 21 21
Unit cell lengths	32.127, 52.794, 72.285
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.630 - 1.120
R-factor	0.1344
Rwork	0.133
R-free	0.16230
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
RMSD bond length	0.010
RMSD bond angle	1.544
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.6.0112)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	42.630	42.630	1.150
High resolution limit [Å]	1.120	5.030	1.120
Rmerge	0.046	0.036	0.167
Rmeas	0.047	0.039	0.188
Total number of observations	291246
Number of reflections	47346	627	3193
<I/σ(I)>	20.3	42.87	7.51
Completeness [%]	99.3	98.6	92.4
Redundancy	6.17	6.057	4.7
CC(1/2)	0.999	0.998	0.978

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