6Z4S
Crystal structure of the neurotensin receptor 1 (NTSR1-H4bmx) in complex with the small molecule inverse agonist SR48692
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-08 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.000009 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 43.518, 77.727, 158.394 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.353 - 2.707 |
Rwork | 0.273 |
R-free | 0.28890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6yvr |
RMSD bond length | 0.001 |
RMSD bond angle | 1.165 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.353 | 3.029 |
High resolution limit [Å] | 2.707 | 2.707 |
Rmerge | 0.525 | 4.678 |
Rmeas | 0.564 | 4.929 |
Rpim | 0.198 | 1.504 |
Number of reflections | 10475 | 524 |
<I/σ(I)> | 4.3 | 1.4 |
Completeness [%] | 90.6 | |
Redundancy | 7.3 | |
CC(1/2) | 0.964 | 0.294 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293.15 | 100 mM Na citrate 225-460 mM ammonium nitrate 30-32% (v/v) PEG400 1 uM SR48692 |