7F8X
Crystal structure of the cholecystokinin receptor CCKAR in complex with NN9056
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL41XU |
Synchrotron site | SPring-8 |
Beamline | BL41XU |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-07-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.600, 72.500, 87.000 |
Unit cell angles | 90.00, 100.00, 90.00 |
Refinement procedure
Resolution | 29.540 - 3.000 |
R-factor | 0.24 |
Rwork | 0.238 |
R-free | 0.26100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5zbq |
RMSD bond length | 0.002 |
RMSD bond angle | 0.606 |
Data reduction software | XDS (VERSION Jan 26, 2018) |
Data scaling software | XSCALE (VERSION Jan 26, 2018) |
Phasing software | PHASER (1.19.2) |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.080 |
High resolution limit [Å] | 3.000 | 3.000 |
Rmerge | 0.206 | 0.573 |
Number of reflections | 26470 | 1376 |
<I/σ(I)> | 4.45 | |
Completeness [%] | 97.1 | |
Redundancy | 4.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | LIPIDIC CUBIC PHASE | 293 | 100 mM HEPES,7.5, 10 (v/v) PPG400 and 100 mM ammonium acetate |