5WNH
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 | 2007-08-10 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 162.923, 81.975, 167.476 |
| Unit cell angles | 90.00, 115.68, 90.00 |
Refinement procedure
| Resolution | 40.000 - 3.100 |
| R-factor | 0.227 |
| Rwork | 0.227 |
| R-free | 0.23400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.940 |
| 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] | 47.190 | 3.210 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.145 | 0.571 |
| Number of reflections | 36017 | |
| <I/σ(I)> | 5 | 1.4 |
| Completeness [%] | 98.9 | 98.5 |
| Redundancy | 3.48 | 3.58 |
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 |
