2XIZ
Protein kinase Pim-1 in complex with fragment-3 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 | 2008-02-13 |
| Detector | MARRESEARCH |
| Spacegroup name | P 65 |
| Unit cell lengths | 96.844, 96.844, 80.715 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.590 - 2.210 |
| R-factor | 0.25797 |
| Rwork | 0.256 |
| R-free | 0.28641 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN-HOUSE PIM-1 STRUCTURE |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.123 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.5.0088) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.600 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.060 | 0.260 |
| Number of reflections | 20132 | |
| <I/σ(I)> | 26.4 | 6.3 |
| Completeness [%] | 91.6 | 58.6 |
| Redundancy | 8 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 5.5 | 0.8 M (NH4)2HPO4, 0.1M SODIUM CITRATE PH 5.5, 0.2 M NACL |
