3TG1
Crystal structure of p38alpha in complex with a MAPK docking partner
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U |
Synchrotron site | SSRF |
Beamline | BL17U |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-07-14 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97924 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 72.428, 72.428, 226.143 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.214 - 2.710 |
R-factor | 0.2183 |
Rwork | 0.216 |
R-free | 0.25950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1P38 2ouc |
RMSD bond length | 0.008 |
RMSD bond angle | 1.254 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((phenix.refine)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 36.214 | 2.800 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.078 | 0.359 |
Number of reflections | 17026 | |
<I/σ(I)> | 20.6 | 2.58 |
Completeness [%] | 98.5 | 93.3 |
Redundancy | 6.8 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7.5 | 293 | 100mM Tris pH7.5, 9% [w/v] polyethylene glycol 3350, 8% [w/v] sucrose, VAPOR DIFFUSION, temperature 293K |