3NUY
phosphoinositide-dependent kinase-1 (PDK1) with fragment17
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-10-10 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.0786 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 123.695, 123.695, 47.346 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.489 - 2.100 |
| R-factor | 0.1866 |
| Rwork | 0.183 |
| R-free | 0.22470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.362 |
| 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 | 2.180 |
| High resolution limit [Å] | 2.100 | 4.520 | 2.100 |
| Rmerge | 0.064 | 0.034 | 0.523 |
| Number of reflections | 24014 | ||
| <I/σ(I)> | 12.6 | ||
| Completeness [%] | 97.0 | 92.5 | 98.3 |
| Redundancy | 6.7 | 6.8 | 6.6 |
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 |
