2IWI
CRYSTAL STRUCTURE OF THE HUMAN PIM2 IN COMPLEX WITH A RUTHENIUM ORGANOMETALLIC LIGAND RU1
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 | 2006-03-04 |
| Detector | MARRESEARCH |
| Spacegroup name | H 3 |
| Unit cell lengths | 153.070, 153.070, 78.600 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 76.470 - 2.800 |
| R-factor | 0.244 |
| Rwork | 0.242 |
| R-free | 0.28900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1xws |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.265 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.190 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Rmerge | 0.060 | 0.380 |
| Number of reflections | 16854 | |
| <I/σ(I)> | 11.23 | 2.21 |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 2.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 1.5 UL SITTING DROPS, 1.6 M SODIUM-POTASSIUM PHOSPHATE, 0.1 M HEPES PH 7.5 |
