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 |
