2GNI
PKA fivefold mutant model of Rho-kinase with inhibitor Fasudil (HA1077)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
| Synchrotron site | MPG/DESY, HAMBURG |
| Beamline | BW6 |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2004-07-28 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 72.227, 75.959, 80.396 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.880 - 2.270 |
| R-factor | 0.19222 |
| Rwork | 0.188 |
| R-free | 0.26817 |
| 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| Starting model (for MR) | an unpublished structure of the binary complex of PKA C alpha wildtype enzyme with PKI(5-24) |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 | 0.018 |
| RMSD bond angle | 1.596 |
| Data reduction software | MOSFLM |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.880 | 2.390 |
| High resolution limit [Å] | 2.270 | 2.270 |
| Number of reflections | 21024 | |
| Completeness [%] | 100.0 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 278 | Methanol, LiCl, MesBisTris, EDTA, DTT, Mega8, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
