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 |