2ZAZ
Crystal structure of P38 in complex with 4-anilino quinoline inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH2R |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2006-10-17 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 45.256, 86.396, 125.505 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.800 |
| R-factor | 0.199 |
| Rwork | 0.197 |
| R-free | 0.23400 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.613 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Refinement software | REFMAC (5.3.0006) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.750 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.082 | 0.419 |
| Total number of observations | 20645 | |
| Number of reflections | 45875 | |
| <I/σ(I)> | 11.9 | 3.8 |
| Completeness [%] | 98.7 | 89 |
| Redundancy | 6.7 | 5.08 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
