2XIX
Protein kinase Pim-1 in complex with fragment-1 from crystallographic fragment screen
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 | 2008-05-29 |
| Detector | MARRESEARCH |
| Spacegroup name | P 65 |
| Unit cell lengths | 96.802, 96.802, 80.595 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.110 - 2.400 |
| R-factor | 0.17279 |
| Rwork | 0.171 |
| R-free | 0.21394 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN-HOUSE PIM STRUCTURE |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.415 |
| 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] | 42.100 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.100 | 0.440 |
| Number of reflections | 15473 | |
| <I/σ(I)> | 17.2 | 2.1 |
| Completeness [%] | 91.2 | 51.2 |
| Redundancy | 6.9 | 3.8 |
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 |
