5N65
Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9h
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 | 2015-05-01 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9786 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.950, 69.740, 74.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.907 - 2.000 |
| R-factor | 0.1934 |
| Rwork | 0.192 |
| R-free | 0.21630 |
| Starting model (for MR) | 4dli |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.675 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmeas | 0.126 | 1.056 |
| Number of reflections | 24783 | |
| <I/σ(I)> | 15.76 | 2.65 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 13 | 13.5 |
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 |
