3MYL
Insights into the Importance of Hydrogen Bonding in the Gamma-Phosphate Binding Pocket of Myosin: Structural and Functional Studies of Ser236
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-02-08 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00707 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 104.045, 180.779, 53.890 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.690 - 2.000 |
| R-factor | 0.18757 |
| Rwork | 0.185 |
| R-free | 0.24378 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vom |
| RMSD bond length | 0.026 |
| RMSD bond angle | 1.958 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0066) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.115 | 0.406 |
| Number of reflections | 69055 | |
| <I/σ(I)> | 17.6 | 3.9 |
| Completeness [%] | 99.8 | 98.6 |
| Redundancy | 7.7 | 7.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 277 | 12.5% MePEG5K, 117mM ammonium acetate, 100mM Hepps, 2mM MgCl2, 2mM sodium pyrophosphate , pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
