2GTN
Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-951717
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-ID |
Synchrotron site | APS |
Beamline | 22-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-10-01 |
Detector | MAR CCD 165 mm |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 64.986, 74.554, 78.029 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 1.800 |
R-factor | 0.203 |
Rwork | 0.198 |
R-free | 0.24800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | IN HOUSE |
RMSD bond length | 0.020 |
RMSD bond angle | 1.825 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.064 | 0.520 |
Number of reflections | 34481 | |
<I/σ(I)> | 10.8 | 1.64 |
Completeness [%] | 96.8 | 75.5 |
Redundancy | 6.6 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 6.5 | 288 | 18%(W/V) PEG 1500, 0.1M MES, streak seed, 1-3 days to maximum size, VAPOR DIFFUSION, HANGING DROP, temperature 288K, pH 6.50 |