6L16
Crystal structure of Ser/Thr kinase Pim1 in complex with 10-DEBC derivatives
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 291 |
| Detector technology | IMAGE PLATE |
| Collection date | 2018-02-20 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 65 |
| Unit cell lengths | 98.031, 98.031, 80.915 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 84.900 - 2.100 |
| R-factor | 0.1989 |
| Rwork | 0.198 |
| R-free | 0.21760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ywv |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.395 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASES |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 84.900 | 2.156 |
| High resolution limit [Å] | 2.100 | 2.101 |
| Rmerge | 0.888 | |
| Number of reflections | 25250 | 1630 |
| <I/σ(I)> | 25.7 | |
| Completeness [%] | 97.7 | |
| Redundancy | 11.3 | |
| CC(1/2) | 0.997 | 0.874 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.4M potassium sodium tartrate tetrahydrate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
