5N63
Crystal Structure of p38alpha in Complex with Lipid Pocket Ligand 9c
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 | 2016-09-26 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9779 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 65.390, 74.900, 78.320 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.259 - 2.400 |
R-factor | 0.1963 |
Rwork | 0.195 |
R-free | 0.22820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4dli |
RMSD bond length | 0.008 |
RMSD bond angle | 0.912 |
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 | 2.500 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmeas | 0.081 | 1.142 |
Number of reflections | 15592 | |
<I/σ(I)> | 21.5 | 2.76 |
Completeness [%] | 100.0 | 99.9 |
Redundancy | 13 | 13.6 |
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 |