2XJ1
Protein kinase Pim-1 in complex with small molecule inibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.2 |
| Synchrotron site | BESSY |
| Beamline | 14.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-06-19 |
| Detector | MARRESEARCH |
| Spacegroup name | P 65 |
| Unit cell lengths | 95.750, 95.750, 80.932 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.620 - 2.130 |
| R-factor | 0.1779 |
| Rwork | 0.176 |
| R-free | 0.21151 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN-HOUSE PIM-1 STRUCTURE |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.246 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.600 | 2.210 |
| High resolution limit [Å] | 2.130 | 2.130 |
| Rmerge | 0.060 | 0.320 |
| Number of reflections | 22397 | |
| <I/σ(I)> | 35.4 | 3.1 |
| Completeness [%] | 94.8 | 63.1 |
| Redundancy | 9 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.9 M (NH4)2HPO4,0.1 M SODIUM CITRATE PH=5.5 , 0.2M NACL |
