4NC3

Crystal structure of the 5-HT2B receptor solved using serial femtosecond crystallography in lipidic cubic phase.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	FREE ELECTRON LASER
Source details	SLAC LCLS BEAMLINE CXI
Synchrotron site	SLAC LCLS
Beamline	CXI
Temperature [K]	294
Detector technology	PIXEL
Collection date	2013-03
Detector	Cornell-SLAC Pixel Array Detector (CSPAD)
Wavelength(s)	1.3
Spacegroup name	C 2 2 21
Unit cell lengths	61.500, 122.200, 168.500
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.681 - 2.800
R-factor	0.2287
Rwork	0.227
R-free	0.27010
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4ib4
RMSD bond length	0.002
RMSD bond angle	0.601
Data reduction software	CrystFEL
Data scaling software	CrystFEL
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.8_1069))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.000	2.900
High resolution limit [Å]	2.800	2.800
Rmerge	0.095
Number of reflections	16052
<I/σ(I)>	5.9
Completeness [%]	100.0	100
Redundancy	1150

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Lipidic Cubic Phase (LCP)	8	293	100mM Tris/HCl pH8.0, 20-80mM MgCl2 and 30% (v/v) PEG400 , Lipidic Cubic Phase (LCP), temperature 293K