6BSK
Human PIM1 kinase in complex with compound 12b
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9731 |
| Spacegroup name | P 65 |
| Unit cell lengths | 97.035, 97.035, 81.130 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 21.780 - 2.573 |
| R-factor | 0.1709 |
| Rwork | 0.170 |
| R-free | 0.19570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5kgd |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.035 | 2.581 |
| High resolution limit [Å] | 2.573 | 2.573 |
| Rmerge | 0.086 | 0.624 |
| Rmeas | 0.091 | 0.661 |
| Rpim | 0.028 | 0.321 |
| Number of reflections | 13375 | 102 |
| <I/σ(I)> | 21.1 | 2.8 |
| Completeness [%] | 96.3 | 74.5 |
| Redundancy | 10.2 | 7.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 293 | 18% PEG 3350, 0.2 M Na2SO4, 6% ethylene glycol, 0.1 M Tris, pH 7.3 |
