3NUN
phosphoinositide-dependent kinase-1 (PDK1) with lead compound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-11-01 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 122.761, 122.761, 47.106 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.183 - 2.200 |
| Rwork | 0.180 |
| R-free | 0.22710 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.023 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.280 |
| High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
| Rmerge | 0.073 | 0.041 | 0.424 |
| Number of reflections | 20848 | ||
| <I/σ(I)> | 9.9 | ||
| Completeness [%] | 98.9 | 99.2 | 97.5 |
| Redundancy | 11.2 | 10.7 | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | sitting drop | 9 | 298 | 2M Ammonium sulfate, 0.1M TRIS, pH 9, sitting drop, temperature 298K |
