7JNT
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH A POTENT AND SELECTIVE DUAL ROCK INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-03-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 |
| Unit cell lengths | 93.617, 100.992, 102.888 |
| Unit cell angles | 83.11, 73.53, 78.38 |
Refinement procedure
| Resolution | 98.440 - 2.214 |
| R-factor | 0.2115 |
| Rwork | 0.211 |
| R-free | 0.24880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NULL |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.900 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Refinement software | BUSTER (2.11.7 (6-FEB-2020)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 98.700 | 2.460 |
| High resolution limit [Å] | 2.210 | 2.210 |
| Rmerge | 0.037 | 0.546 |
| Number of reflections | 105798 | 5290 |
| <I/σ(I)> | 11.3 | 1.6 |
| Completeness [%] | 60.1 | 11.2 |
| Redundancy | 2.2 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | NULL |
