2XJ2
Protein kinase Pim-1 in complex with small molecule inhibitor
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 | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 65 |
| Unit cell lengths | 96.167, 96.167, 80.785 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.590 - 2.200 |
| R-factor | 0.16922 |
| Rwork | 0.167 |
| R-free | 0.20157 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN-HOUSE PIM-1 STRUCTURE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.200 |
| 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] | 41.600 | 2.270 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.100 | 0.480 |
| Number of reflections | 21150 | |
| <I/σ(I)> | 23.4 | 2.6 |
| Completeness [%] | 97.7 | 80.3 |
| Redundancy | 10.5 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.75 | 0.8 M (NH4)2HPO4, 0.1 M SODIUM CITRATE PH 5.75, 0.2 M NACL |
