2GNJ
PKA three fold mutant model of Rho-kinase with Y-27632
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | OTHER |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2004-07-28 |
| Detector | BRUKER SMART 2000 |
| Wavelength(s) | 1.00003 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.690, 75.480, 79.900 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.760 - 2.280 |
| R-factor | 0.18951 |
| Rwork | 0.186 |
| R-free | 0.26185 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | an unpublished structure of the binary complex of PKA C alpha wildtype enzyme with PKI(5-24) |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.516 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 19.764 |
| High resolution limit [Å] | 2.200 |
| Number of reflections | 22878 |
| Completeness [%] | 100.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 278 | LiCl, MesBisTris, EDTA, DTT, Mega8, Methanol, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
