5N68
Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9m
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2015-03-19 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.240, 74.980, 78.860 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.012 - 1.850 |
| R-factor | 0.1987 |
| Rwork | 0.198 |
| R-free | 0.22030 |
| Starting model (for MR) | 4dli |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.904 |
| 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 | 1.950 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmeas | 0.050 | 0.860 |
| Number of reflections | 34201 | |
| <I/σ(I)> | 26.89 | 3.05 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13.1 | 13.2 |
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 |
