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 |
