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 |