8QYR
Beta-cardiac myosin motor domain in the pre-powerstroke state complexed to Mavacamten
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 1 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-06-07 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97856 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 68.580, 95.680, 127.140 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.000 - 1.800 |
R-factor | 0.189 |
Rwork | 0.187 |
R-free | 0.22700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.070 |
Data reduction software | autoPROC |
Data scaling software | STARANISO |
Phasing software | PHASER |
Refinement software | BUSTER (2.10.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 76.451 | 1.986 |
High resolution limit [Å] | 1.805 | 1.805 |
Rmerge | 0.185 | 2.562 |
Number of reflections | 41812 | 2083 |
<I/σ(I)> | 11.8 | 1.3 |
Completeness [%] | 92.2 | 64.6 |
Redundancy | 25.9 | 19.6 |
CC(1/2) | 0.999 | 0.467 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.9 | 298 | 2mM Mg.ADP.Vanadate 0.5mM Mavacamten 23% PEG 3350 0.2M Lithium sulfate 0.1M Tris-HCl |