5XYX
The structure of p38 alpha in complex with a triazol inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-07-08 |
Detector | RIGAKU |
Wavelength(s) | 0.9795 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 45.150, 86.130, 124.770 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.830 - 2.610 |
R-factor | 0.21782 |
Rwork | 0.216 |
R-free | 0.26044 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1ouy |
RMSD bond length | 0.011 |
RMSD bond angle | 1.491 |
Data reduction software | iMOSFLM |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0123) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 28.830 |
High resolution limit [Å] | 2.610 |
Number of reflections | 15084 |
<I/σ(I)> | 15.4 |
Completeness [%] | 97.1 |
Redundancy | 5.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | Sodium citrate, Ammonium sulfate, HEPES |