3ZYA
Human p38 MAP Kinase in Complex with 2-amino-phenylamino- dibenzosuberone
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2007-08-27 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 47.155, 51.863, 167.881 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.121 - 1.900 |
| R-factor | 0.1725 |
| Rwork | 0.171 |
| R-free | 0.20880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1P38 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.084 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.000 | 1.900 |
| High resolution limit [Å] | 1.850 | 1.850 |
| Rmerge | 0.050 | 0.650 |
| Number of reflections | 67368 | |
| <I/σ(I)> | 12.32 | 1.87 |
| Completeness [%] | 99.2 | 99.1 |
| Redundancy | 2.8 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 100 MM HEPES (PH 7.4), 20 % PEG 8000, 1 MM MGCL2 |
