1DFL
SCALLOP MYOSIN S1 COMPLEXED WITH MGADP:VANADATE-TRANSITION STATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CHESS BEAMLINE A1 |
| Synchrotron site | CHESS |
| Beamline | A1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.032, 243.475, 124.650 |
| Unit cell angles | 90.00, 100.20, 90.00 |
Refinement procedure
| Resolution | 20.000 - 3.800 * |
| R-factor | 0.394 |
| Rwork | 0.394 |
| R-free | 0.40000 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.300 |
| Data reduction software | DENZO |
| Data scaling software | CCP4 ((TRUNCATE)) |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.870 |
| High resolution limit [Å] | 3.800 | 3.800 |
| Rmerge | 0.098 | 0.216 |
| Total number of observations | 426824 * | |
| Number of reflections | 29173 * | |
| <I/σ(I)> | 20.4 | |
| Completeness [%] | 95.5 | 80.9 |
| Redundancy | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 277 | drop consists of equal amounts of protein and reservoir solutions * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | reservoir | cacodylate | 50 (mM) | |
| 3 | 1 | reservoir | ammonium sulfate | 50 (mM) | |
| 4 | 1 | reservoir | 10 (mM) | ||
| 5 | 1 | reservoir | glycerol | 15 (%(v/v)) | |
| 6 | 1 | reservoir | PEG8000 | 7 (%(v/v)) |
