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 |
