7FX3

Crystal Structure of apo human FABP4, tetragonal form

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	2013-05-04
Detector	PSI PILATUS 6M
Wavelength(s)	0.999960
Spacegroup name	P 43 21 2
Unit cell lengths	57.041, 57.041, 83.395
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.330 - 1.120
R-factor	0.1408
Rwork	0.140
R-free	0.16120
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
RMSD bond length	0.017
RMSD bond angle	2.013
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]	40.330	40.330	1.150
High resolution limit [Å]	1.120	5.030	1.120
Rmerge	0.033	0.025	0.281
Rmeas	0.030	0.027	0.299
Total number of observations	641514
Number of reflections	52891	716	3644
<I/σ(I)>	37.88	106.29	6.35
Completeness [%]	99.6	99.2	94.4
Redundancy	12.14	11.342	8.454
CC(1/2)	1.000	0.999	0.960

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