7FYA

Crystal Structure of apo human FABP1 - orthorhombic 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	2012-03-11
Detector	PSI PILATUS 6M
Wavelength(s)	1.000000
Spacegroup name	P 21 2 21
Unit cell lengths	38.738, 56.431, 110.998
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.575 - 1.880
R-factor	0.2181
Rwork	0.215
R-free	0.27390
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
RMSD bond length	0.007
RMSD bond angle	1.105
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (dev_989)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	39.570	39.570	1.930
High resolution limit [Å]	1.880	5.440	1.880
Rmerge	0.049	0.026	0.787
Total number of observations	119049
Number of reflections	19160	961	952
<I/σ(I)>	17.76	48.59	1.26
Completeness [%]	93.2	99.2	77.3
Redundancy	4.84	5.57	3.29

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