7FW4

Crystal Structure of human FABP4 soaked with glycerol

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	2012-04-01
Detector	PSI PILATUS 6M
Wavelength(s)	0.999980
Spacegroup name	P 21 21 21
Unit cell lengths	35.276, 54.706, 74.603
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.110 - 1.440
R-factor	0.2008
Rwork	0.199
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
RMSD bond length	0.015
RMSD bond angle	1.771
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.7.0018)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	44.120	44.110	1.480
High resolution limit [Å]	1.440	6.440	1.440
Rmerge	0.045	0.029	1.354
Rmeas	0.049	0.031	1.492
Total number of observations	161705
Number of reflections	26731	369	1929
<I/σ(I)>	15.98	50.88	1.19
Completeness [%]	99.4	99.5	98.5
Redundancy	6.06	5.696	5.731
CC(1/2)	0.999	0.999	0.647

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