4RC4
Crystal structure of Ser/Thr kinase Pim1 in complex with Mitoxantrone derivatives
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Detector technology | CCD |
| Collection date | 2013-04-27 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97622 |
| Spacegroup name | P 65 |
| Unit cell lengths | 97.942, 97.942, 81.026 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 42.410 - 2.651 |
| R-factor | 0.19135 |
| Rwork | 0.189 |
| R-free | 0.24143 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ywv |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.807 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.700 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.107 | 0.620 |
| Number of reflections | 12935 | |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 12.4 | 12.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9.5 | 291 | 0.4 M potassium sodium tartrate tetrahydrate, pH 9.5, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
