4A7C
Crystal structure of PIM1 kinase with ETP46546
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-27 |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 65 |
| Unit cell lengths | 99.355, 99.355, 81.119 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.678 - 2.300 |
| R-factor | 0.1709 |
| Rwork | 0.169 |
| R-free | 0.20720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1yxt |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.134 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX ((PHENIX.REFINE)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.680 | 2.420 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.100 | 0.440 |
| Number of reflections | 20344 | |
| <I/σ(I)> | 16.8 | 4.8 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 7.6 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7 | 0.1 M IMIDAZOLE PH 7.0, 1 M NA ACETATE. |
