5N67
Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9l
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 | 66.120, 75.180, 78.350 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.938 - 1.900 |
R-factor | 0.1911 |
Rwork | 0.190 |
R-free | 0.22200 |
Starting model (for MR) | 4dli |
RMSD bond length | 0.008 |
RMSD bond angle | 0.884 |
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 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmeas | 0.086 | 0.662 |
Number of reflections | 31410 | |
<I/σ(I)> | 19.5 | 3.86 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.1 | 12.7 |
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 |