6ME6
XFEL crystal structure of human melatonin receptor MT2 in complex with 2-phenylmelatonin
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] | 293 |
| Detector technology | PIXEL |
| Collection date | 2017-08-20 |
| Detector | CS-PAD CXI-1 |
| Wavelength(s) | 1.30 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 69.500, 146.180, 77.280 |
| Unit cell angles | 90.00, 111.72, 90.00 |
Refinement procedure
| Resolution | 21.990 - 2.800 |
| R-factor | 0.22 |
| Rwork | 0.219 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB id: 1IRO |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.970 |
| Data reduction software | CrystFEL (0.6.3) |
| Data scaling software | CrystFEL (0.6.3) |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 21.990 | 2.880 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 35706 | 2887 |
| <I/σ(I)> | 0.14 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 571.2 | 141.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | LIPIDIC CUBIC PHASE | 293 | N-(2-Acetamido)iminodiacetic acid, PEG 400, ammonium acetate |
