6AYD
Pim1 complexed with N-(6-(4-hydroxyphenyl)-1H-indazol-3-yl)cyclopropanecarboxamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2006-08-09 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 65 |
| Unit cell lengths | 97.300, 97.300, 80.221 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 20.000 - 3.000 |
| R-factor | 0.1707 |
| Rwork | 0.168 |
| R-free | 0.22970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bik |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.439 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0124) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 3.078 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.130 | 0.540 |
| Number of reflections | 7834 | 385 |
| <I/σ(I)> | 15 | |
| Completeness [%] | 94.0 | 63 |
| Redundancy | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 277 | 1M succinate pH 7.0, 0.1M BisTrisPropane, 1% 1,6-hexanediol |
