5L8I

crystal structure of human FABP6 apo-protein

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I02
Synchrotron site	Diamond
Beamline	I02
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-08-08
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97623
Spacegroup name	P 1 21 1
Unit cell lengths	46.952, 64.114, 58.765
Unit cell angles	90.00, 94.55, 90.00

Refinement procedure

Resolution	58.580 - 1.880
R-factor	0.2415
Rwork	0.240
R-free	0.27513
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3exl
RMSD bond length	0.011
RMSD bond angle	1.485
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	58.580	1.960
High resolution limit [Å]	1.880	1.880
Rmerge	0.081	0.627
Number of reflections	28093
<I/σ(I)>	5.5	1.5
Completeness [%]	99.0	95.6
Redundancy	3.2	2.8
CC(1/2)	0.994

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.5	293.5	41% w/v PEG 3350 and 0.1 M Bis-tris pH 5.5