3DS6
P38 complex with a phthalazine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E DW |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2008-05-05 |
| Detector | RIGAKU SATURN 92 |
| Wavelength(s) | 1.5818 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 78.950, 87.884, 224.939 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.800 - 2.900 |
| Rwork | 0.228 |
| R-free | 0.31900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Internal |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | CNS |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 45.800 |
| High resolution limit [Å] | 2.800 |
| Rmerge | 0.083 |
| Number of reflections | 32326 |
| Completeness [%] | 90.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 5.6 | 295 | 31% PEG 4000, 100mM NaCitrate, 200mM ammonium acetate, 10mM DTT, pH 5.6, VAPOR DIFFUSION, temperature 295K |
