7JOV
CRYSTAL STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE 2 (ROCK2) IN COMPLEX WITH A PHENYLPYRAZOLE AMIDE INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| 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 | 95.157, 101.589, 102.973 |
| Unit cell angles | 83.50, 73.77, 77.69 |
Refinement procedure
| Resolution | 89.690 - 2.586 |
| R-factor | 0.1853 |
| Rwork | 0.184 |
| R-free | 0.21660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | NULL |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.920 |
| 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] | 89.690 | 2.960 |
| High resolution limit [Å] | 2.586 | 2.590 |
| Rmerge | 0.034 | 0.277 |
| Number of reflections | 56920 | 2846 |
| <I/σ(I)> | 8.3 | 1.8 |
| Completeness [%] | 50.4 | 7.6 |
| Redundancy | 1.8 | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | NULL |
