5WNG
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 | 2007-08-27 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1.0 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 160.924, 81.415, 168.892 |
Unit cell angles | 90.00, 115.10, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.900 |
R-factor | 0.231 |
Rwork | 0.230 |
R-free | 0.25000 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 0.950 |
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] | 44.580 | 3.000 |
High resolution limit [Å] | 2.900 | 2.900 |
Rmerge | 0.134 | 0.683 |
Number of reflections | 44074 | |
<I/σ(I)> | 5.2 | 1.2 |
Completeness [%] | 99.8 | 99.6 |
Redundancy | 3.7 | 3.61 |
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 |