3GCQ
Human P38 MAP kinase in complex with RL45
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 90 |
Detector technology | CCD |
Collection date | 2008-05-26 |
Detector | MARRESEARCH |
Wavelength(s) | 0.978030 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.560, 74.790, 76.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.740 - 2.000 |
R-factor | 0.219 |
Rwork | 0.217 |
R-free | 0.27000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zyj |
RMSD bond length | 0.015 |
RMSD bond angle | 1.496 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.071 | 0.381 |
Number of reflections | 26431 | |
<I/σ(I)> | 19.12 | 4.55 |
Completeness [%] | 99.5 | 97.6 |
Redundancy | 5.43 | 5.09 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.9 | 293 | 100 mM MES, 20-30% PEG 4000, 50 mM n-beta-octyl-glucoside, pH 5.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K |