5N64
Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9g
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2014-02-22 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9205 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.050, 74.770, 78.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.109 - 2.400 |
| R-factor | 0.2062 |
| Rwork | 0.204 |
| R-free | 0.24070 |
| Starting model (for MR) | 4dli |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.638 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmeas | 0.083 | 1.153 |
| Number of reflections | 15944 | |
| <I/σ(I)> | 17.36 | 1.92 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.5 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293.15 | 100 mM MES pH 5.6-6.2 20-30 % PEG4000 50 mM BOG |
