2GNL
PKA threefold mutant model of Rho-kinase with inhibitor H-1152P
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | SIEMENS |
| Temperature [K] | 77 |
| Detector technology | IMAGE PLATE |
| Collection date | 2003-12-05 |
| Detector | MAR scanner 180 mm plate |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 73.020, 74.746, 80.184 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.850 - 2.600 |
| R-factor | 0.20298 |
| Rwork | 0.198 |
| R-free | 0.30260 |
| 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| Starting model (for MR) | an unpublished structure of the binary complex of PKA C alpha wildtype enzyme with PKI(5-24) |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 | 1.587 |
| 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] | 24.850 |
| High resolution limit [Å] | 2.598 |
| Number of reflections | 14022 |
| Completeness [%] | 100.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 278 | Methanol, LiCl, MesBisTris, DTT, EDTA, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 278K |
