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 |