3O8P
Conformational plasticity of p38 MAP kinase DFG motif mutants in response to inhibitor binding
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X4A |
| Synchrotron site | NSLS |
| Beamline | X4A |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 65.931, 73.587, 76.828 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 34.050 - 2.100 |
| R-factor | 0.21815 |
| Rwork | 0.213 |
| R-free | 0.27582 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zyj |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.586 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 34.050 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.085 | 0.046 |
| Number of reflections | 22492 | |
| <I/σ(I)> | 21 | 4.1 |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 6.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 295 | 10-20% PEG4000, 0.1M cacodylic acid, 50mM n-octyl-beta-D-glucoside, pH 6.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K |
