5BML
ROCK 1 bound to a pyridine thiazole inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 120 |
| Detector technology | CCD |
| Collection date | 2004-03-10 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 182.590, 182.590, 91.390 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.900 - 2.950 |
| R-factor | 0.2067 |
| Rwork | 0.205 |
| R-free | 0.23530 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.100 |
| Data reduction software | CrystalClear |
| Data scaling software | CrystalClear |
| Refinement software | BUSTER-TNT (2.11.6) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 29.910 | 29.910 | 3.000 |
| High resolution limit [Å] | 2.900 | 6.230 | 2.900 |
| Rmerge | 0.070 | 0.026 | 0.463 |
| Total number of observations | 218314 | 21307 | 21832 |
| Number of reflections | 38972 | ||
| <I/σ(I)> | 14 | 37.1 | 3.3 |
| Completeness [%] | 99.7 | 97.6 | 100 |
| Redundancy | 5.38 | 5.32 | 5.17 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 298 | 4.5% PEG3350, 100mM MES, pH 5.5, 50mM CaCl2, 10mM DTT, 0.45 mM protein, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
