4RC3
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) | 0.980002 |
| Spacegroup name | P 65 |
| Unit cell lengths | 97.867, 97.867, 80.832 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.480 - 2.338 |
| R-factor | 0.19224 |
| Rwork | 0.191 |
| R-free | 0.22211 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ywv |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.065 |
| 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] | 36.480 | 2.400 |
| High resolution limit [Å] | 2.338 | 2.338 |
| Rmerge | 0.078 | 0.671 |
| Number of reflections | 18718 | |
| Completeness [%] | 99.7 | 100 |
| Redundancy | 10.8 | 10.3 |
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 |
