3ION
PDK1 in complex with Compound 8h
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2005-10-10 |
| Detector | RIGAKU SATURN 92 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 123.368, 123.368, 47.265 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 26.710 - 2.400 |
| R-factor | 0.2464 |
| Rwork | 0.245 |
| R-free | 0.28179 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.026 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 100.000 |
| High resolution limit [Å] | 2.400 |
| Number of reflections | 15542 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.6 | 293 | VAPOR DIFFUSION, HANGING DROP, pH 8.6, temperature 293K |
