2XIY
Protein kinase Pim-1 in complex with fragment-2 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 | 96.987, 96.987, 80.870 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.620 - 2.200 |
| R-factor | 0.1715 |
| Rwork | 0.170 |
| R-free | 0.20075 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN-HOUSE PIM-1 STRUCTURE |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.214 |
| 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 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.090 | 0.450 |
| Number of reflections | 21175 | |
| <I/σ(I)> | 21.2 | 2.25 |
| Completeness [%] | 96.0 | 71.3 |
| Redundancy | 8.6 | 4.8 |
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 |
