6ZHO
Crystal structure of a CGRP receptor ectodomain heterodimer with bound high affinity inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2016-12-12 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.96861 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 71.725, 76.961, 97.028 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.480 - 1.600 |
| R-factor | 0.1805 |
| Rwork | 0.179 |
| R-free | 0.21420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4rwg |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.463 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 38.480 | 1.630 |
| High resolution limit [Å] | 1.600 | 1.600 |
| Number of reflections | 136426 | 3616 |
| <I/σ(I)> | 9.4 | |
| Completeness [%] | 99.7 | |
| Redundancy | 9.3 | |
| CC(1/2) | 0.997 | 0.379 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.1 M BIS-TRIS pH 5.5, 0.1 M ammonium acetate, 15 % PEG 10,000 |
