5WNF
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 | 162.905, 82.292, 169.739 |
Unit cell angles | 90.00, 115.87, 90.00 |
Refinement procedure
Resolution | 24.700 - 2.450 |
R-factor | 0.237 |
Rwork | 0.236 |
R-free | 0.24700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.990 |
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] | 39.790 | 2.540 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.095 | 0.637 |
Number of reflections | 74142 | |
<I/σ(I)> | 6 | 1.2 |
Completeness [%] | 99.5 | 98 |
Redundancy | 3.78 | 3.71 |
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 |