8TMZ
Crystal structure of MERS-CoV spike stem helix peptide in complex with neutralizing antibody CHM-27
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-05-13 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97933 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 43.057, 71.402, 74.571 |
Unit cell angles | 90.00, 106.00, 90.00 |
Refinement procedure
Resolution | 35.840 - 1.800 |
R-factor | 0.2469 |
Rwork | 0.244 |
R-free | 0.29420 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.322 |
Data reduction software | autoPROC |
Data scaling software | autoPROC |
Phasing software | PHASER |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.587 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 39980 | 1803 |
<I/σ(I)> | 7 | |
Completeness [%] | 99.1 | |
Redundancy | 3.3 | |
CC(1/2) | 0.995 | 0.446 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293.15 | 0.17 M sodium acetate, 0.085 M Tris at pH 8.5, 15% (v/v) glycerol, and 25.5% (w/v) polyethylene glycol 4000 |