6ME8
XFEL crystal structure of human melatonin receptor MT2 (N86D) 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 | 2017-12-07 |
Detector | CS-PAD CXI-1 |
Wavelength(s) | 1.30 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 68.700, 145.800, 77.000 |
Unit cell angles | 90.00, 107.40, 90.00 |
Refinement procedure
Resolution | 22.000 - 3.100 |
R-factor | 0.235 |
Rwork | 0.234 |
R-free | 0.26200 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB id:1IRO |
RMSD bond length | 0.009 |
RMSD bond angle | 0.960 |
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] | 22.000 | 3.230 |
High resolution limit [Å] | 3.100 | 3.100 |
Number of reflections | 26228 | 3025 |
<I/σ(I)> | 3.87 | |
Completeness [%] | 100.0 | |
Redundancy | 133 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293 | N-(2-Acetamido)iminodiacetic acid, PEG 400, ammonium acetate |