3GCU
Human P38 MAP kinase in complex with RL48
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | BRUKER AXS MICROSTAR |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2008-07-26 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54170 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.470, 74.090, 71.710 |
Unit cell angles | 90.00, 93.76, 90.00 |
Refinement procedure
Resolution | 32.410 - 2.100 |
R-factor | 0.19 |
Rwork | 0.189 |
R-free | 0.23500 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1zyj |
RMSD bond length | 0.014 |
RMSD bond angle | 1.546 |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.039 | 0.248 |
Number of reflections | 43071 | 5571 |
<I/σ(I)> | 25.64 | 6 |
Completeness [%] | 99.8 | 99.9 |
Redundancy | 4.1 | 4.02 |
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 |