3HUB
Human p38 MAP Kinase in Complex with Scios-469
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2008-10-07 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97910 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 68.010, 69.610, 74.440 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.720 - 2.250 |
| R-factor | 0.217 |
| Rwork | 0.213 |
| R-free | 0.29200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.842 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER (1.3.1) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.720 | 2.350 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.062 | 0.418 |
| Number of reflections | 17297 | 2083 |
| <I/σ(I)> | 17.34 | 4.1 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 4.05 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 100 mM MES, 20-30% PEG4000, 50 mM n-BOG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
