8QYQ
Beta-cardiac myosin S1 fragment 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 | 2018-01-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.98400 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 102.801, 147.977, 116.751 |
| Unit cell angles | 90.00, 91.62, 90.00 |
Refinement procedure
| Resolution | 91.640 - 2.610 |
| R-factor | 0.18 |
| Rwork | 0.178 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.150 |
| 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] | 91.640 | 2.859 |
| High resolution limit [Å] | 2.607 | 2.607 |
| Rmerge | 0.200 | 1.212 |
| Number of reflections | 69889 | 3494 |
| <I/σ(I)> | 7.4 | 1.5 |
| Completeness [%] | 93.6 | 61.2 |
| Redundancy | 4.5 | 5.3 |
| CC(1/2) | 0.985 | 0.476 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | 5mM Mg.ADP.BeFx 5mM Mavacamten 20.5% PEG 3350 7.5% Na Tacsimate 5mM TCEP |
