7FXO

Crystal Structure of apo human FABP1 monoclinic form III

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 1 21 1
Unit cell lengths	56.941, 37.114, 60.491
Unit cell angles	90.00, 113.12, 90.00

Refinement procedure

Resolution	32.320 - 1.300
R-factor	0.1559
Rwork	0.153
R-free	0.20360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	inhouse model
RMSD bond length	0.018
RMSD bond angle	1.897
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]	32.320	32.320	1.330
High resolution limit [Å]	1.320	5.810	1.300
Rmerge	0.040	0.023	1.105
Rmeas	0.047	0.028	1.321
Total number of observations	185836
Number of reflections	54768	687	4216
<I/σ(I)>	11.36	39.02	1.11
Completeness [%]	99.6	96.9	98.6
Redundancy	3.28	3.371	3.231
CC(1/2)	0.999	0.999	0.384

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