7JOU
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 1 (ROCK1) IN COMPLEX WITH A PHENYLPYRAZOLE AMIDE INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-09-17 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 1 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 166.845, 166.845, 64.992 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.000 - 3.318 |
| R-factor | 0.2184 |
| Rwork | 0.217 |
| R-free | 0.24830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NULL |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.040 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | BUSTER (2.11.7 (3-OCT-2019)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.440 |
| High resolution limit [Å] | 3.318 | 3.320 |
| Rmerge | 0.077 | 0.876 |
| Number of reflections | 14130 | 1380 |
| <I/σ(I)> | 30.1 | 3.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 11.7 | 12.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | NULL |
