2C3I
CRYSTAL STRUCTURE OF HUMAN PIM1 IN COMPLEX WITH IMIDAZOPYRIDAZIN I
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-09-03 |
| Detector | MARRESEARCH |
| Spacegroup name | P 65 |
| Unit cell lengths | 98.439, 98.439, 80.843 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 85.130 - 1.900 |
| R-factor | 0.187 |
| Rwork | 0.185 |
| R-free | 0.21900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xws |
| RMSD bond length | 0.018 |
| RMSD bond angle | 1.599 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.500 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.080 | 0.590 |
| Number of reflections | 34063 | |
| <I/σ(I)> | 2.39 | 2.39 |
| Completeness [%] | 97.2 | 92 |
| Redundancy | 3.5 | 2.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 |
