1S1C
Crystal structure of the complex between the human RhoA and Rho-binding domain of human ROCKI
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-12-08 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 34.404, 89.537, 98.105 |
| Unit cell angles | 90.00, 91.86, 90.00 |
Refinement procedure
| Resolution | 19.770 - 2.600 |
| R-factor | 0.219 |
| Rwork | 0.219 |
| R-free | 0.25700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 21.900 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.690 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.064 * | 0.112 * |
| Total number of observations | 43736 * | |
| Number of reflections | 17511 | |
| Completeness [%] | 95.9 | 82.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, hanging drop * | 7.5 | 20 * | TRIS, PEG 3350, isopropyl alcohol, pH 7.5, EVAPORATION, temperature 293K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | reservoir | Tris-HCl | 100 (mM) | pH7.5 |
| 2 | 1 | reservoir | PEG3350 | 12 (%) | |
| 3 | 1 | reservoir | isopropyl alcohol | 2 (%) | |
| 4 | 1 | drop | protein | 10 (mg/ml) | |
| 5 | 1 | drop | Tris-HCl | 30 (mM) | pH7.5 |
| 6 | 1 | drop | 4 (mM) | ||
| 7 | 1 | drop | DTE | 2 (mM) |
