6ZIS
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] | 88 |
Detector technology | PIXEL |
Collection date | 2018-12-13 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.96861 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 71.140, 76.980, 98.260 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.620 - 1.730 |
R-factor | 0.2013 |
Rwork | 0.199 |
R-free | 0.24440 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4rwg |
RMSD bond length | 0.008 |
RMSD bond angle | 0.895 |
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] | 76.980 | 1.770 |
High resolution limit [Å] | 1.730 | 1.730 |
Number of reflections | 57024 | 4154 |
<I/σ(I)> | 6.3 | |
Completeness [%] | 100.0 | 100 |
Redundancy | 7.6 | 7.8 |
CC(1/2) | 0.992 | 0.427 |
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 |