1YV3
The structural basis of blebbistatin inhibition and specificity for myosin II
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 32-ID |
| Synchrotron site | APS |
| Beamline | 32-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-08-09 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.708 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 88.106, 145.770, 152.912 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.000 |
| R-factor | 0.17514 |
| Rwork | 0.173 |
| R-free | 0.21498 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1vom |
| RMSD bond length | 0.022 |
| RMSD bond angle | 1.685 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.062 | 0.269 |
| Number of reflections | 63478 | |
| <I/σ(I)> | 24 | 3.7 |
| Completeness [%] | 99.8 | 98.2 |
| Redundancy | 5.8 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 278 | 100 mM MOPS (pH 7.0), 250 mM MgCl2, 11% PEG 8000, 1 mM TCEP, 2 mM Thymol, 1 mM MgCl2, 2 mM ADP, and 3 mM sodium vanadate, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
