6ZA8
Crystal structure of the neurotensin receptor 1 in complex with the small-molecule partial agonist RTI-3a
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 | 2018-11-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.99998 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 76.468, 211.197, 93.703 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.640 - 2.720 |
Rwork | 0.281 |
R-free | 0.30010 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6yvr |
RMSD bond length | 0.002 |
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] | 29.640 | 3.014 |
High resolution limit [Å] | 2.720 | 2.720 |
Rmerge | 0.259 | 2.395 |
Rmeas | 0.281 | 2.571 |
Rpim | 0.106 | 0.913 |
Number of reflections | 13577 | 679 |
<I/σ(I)> | 5.2 | |
Completeness [%] | 90.4 | |
Redundancy | 6.5 | |
CC(1/2) | 0.975 | 0.435 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293.1 | 100 mM HEPES 385-550 mM Na citrate 30-32% (v/v) PEG400 10 uM RTI-3a |