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 |