3TWJ
Rho-associated protein kinase 1 (ROCK 1) IN COMPLEX WITH RKI1447
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2011-06-07 |
| Detector | RIGAKU SATURN 944+ |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 145.670, 150.920, 205.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.737 - 2.900 |
| Rwork | 0.224 |
| R-free | 0.28920 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | monomer from chain A of 3TV7 |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.494 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.089 | 0.410 |
| Number of reflections | 49897 | |
| <I/σ(I)> | 20 | 3.3 |
| Completeness [%] | 99.1 | 99.3 |
| Redundancy | 5.2 | 5.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 291 | 10 MG/ML ROCK1, 75 MM hepes ph 7.4, 2.5 % tacsimate pH 7.4, 5 % PEG 5000 MME, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
