5N69
Cardiac muscle myosin S1 fragment in the pre-powerstroke state co-crystallized with the activator Omecamtiv Mecarbil
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-03-07 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.8729 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 98.320, 122.450, 187.430 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.220 - 2.450 |
| R-factor | 0.182 |
| Rwork | 0.180 |
| R-free | 0.22400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1qvi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.130 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Number of reflections | 82998 | |
| <I/σ(I)> | 5.41 | 0.96 |
| Completeness [%] | 99.3 | 95.9 |
| Redundancy | 8.6 | 8 |
| CC(1/2) | 0.990 | 0.380 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 24% (w/v) PEG 3350, 5% Tacsimate pH 6.0, 5 mM TCEP, 20% Glycerol and 10% DMSO |
