8VXE
Structure of p38 alpha (Mitogen-activated protein kinase 14) complexed with inhibitor 6
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2018-11-28 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.99997 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.124, 74.341, 78.029 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.460 - 1.850 |
R-factor | 0.2228 |
Rwork | 0.218 |
R-free | 0.28853 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.359 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0232) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 49.460 | 49.460 | 2.100 |
High resolution limit [Å] | 1.850 | 9.850 | 1.850 |
Rmerge | 0.028 | 0.023 | 0.460 |
Rmeas | 0.033 | 0.029 | 0.534 |
Number of reflections | 32652 | 231 | 10006 |
<I/σ(I)> | 24.04 | ||
Completeness [%] | 97.4 | ||
Redundancy | 3.7 | ||
CC(1/2) | 0.999 | 0.997 | 0.932 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5 | 277 | 10% PEG6000, 0.1 MES/NaOH pH 5.0 |