2H9V
Structural basis for induced-fit binding of Rho-kinase to the inhibitor Y27632
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2004-12-08 |
| Detector | Bruker DIP-6040 |
| Wavelength(s) | 0.9 |
| Spacegroup name | P 62 2 2 |
| Unit cell lengths | 90.781, 90.781, 341.279 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.000 - 3.100 |
| R-factor | 0.234 |
| Rwork | 0.232 |
| R-free | 0.27700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.718 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 3.210 |
| High resolution limit [Å] | 3.100 | 6.660 | 3.100 |
| Rmerge | 0.074 | 0.050 | 0.236 |
| Number of reflections | 16013 | ||
| <I/σ(I)> | 29.988 | 51.268 | 9.788 |
| Completeness [%] | 99.5 | ||
| Redundancy | 14.9 | 15.4 | 13 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | Sodium Citrate, FOS-Choline-9, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
