3WXQ

Serial femtosecond X-ray structure of human fatty acid-binding protein type-3 (FABP3) in complex with stearic acid (C18:0) determined using X-ray free-electron laser at SACLA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SACLA BEAMLINE BL3
Synchrotron site	SACLA
Beamline	BL3
Temperature [K]	293
Detector technology	CCD
Collection date	2013-12-08
Detector	MPCCD octal
Wavelength(s)	1.23
Spacegroup name	P 21 21 21
Unit cell lengths	33.707, 54.851, 70.656
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.701 - 1.600
R-factor	0.1803
Rwork	0.178
R-free	0.22240
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3wvm
RMSD bond length	0.017
RMSD bond angle	1.675
Data reduction software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.630
High resolution limit [Å]	1.600	1.600
Number of reflections	18204
Completeness [%]	100.0	100

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	batch method	8	293	73mM Tris-HCl, 43% PEG400, 33mM NaCl, pH 8.0, batch method, temperature 293K