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 |