4LOQ
Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form with bound sulphate)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-05-09 |
| Detector | DECTRIS PILATUS 2M |
| Wavelength(s) | 0.9200 |
| Spacegroup name | P 41 |
| Unit cell lengths | 87.100, 87.100, 228.280 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.780 - 2.319 |
| R-factor | 0.19403 |
| Rwork | 0.192 |
| R-free | 0.23569 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3que |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.453 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 4355.000 | 2.450 |
| High resolution limit [Å] | 2.319 | 2.319 |
| Rmerge | 0.077 | 0.707 |
| Number of reflections | 72157 | |
| <I/σ(I)> | 10.4 | 2 |
| Completeness [%] | 98.7 | 99.6 |
| Redundancy | 3.3 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 277.15 | 25% Medium-molecular weight PEG Smears, 0.2 M Ammonium sulphate, 0.01 M CdCl2, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K |
