5WNE
X-RAY CO-STRUCTURE OF RHO-ASSOCIATED PROTEIN KINASE (ROCK1) WITH A HIGHLY SELECTIVE INHIBITOR
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-06 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 161.850, 82.160, 169.370 |
| Unit cell angles | 90.00, 115.05, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.600 |
| R-factor | 0.229 |
| Rwork | 0.228 |
| R-free | 0.24600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.960 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.890 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.061 | 0.432 |
| Number of reflections | 62112 | |
| <I/σ(I)> | 10.1 | 2 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 3.63 | 3.38 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 8.5% PEG3350, 0.1M MES, 50 MM CACL2, PH 6.0 |
