3NUU
phosphoinositide-dependent kinase-1 (PDK1) with fragment11
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 22-BM |
Synchrotron site | APS |
Beamline | 22-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2007-06-02 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.99 |
Spacegroup name | P 32 2 1 |
Unit cell lengths | 122.615, 122.615, 47.328 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 37.464 - 1.980 |
Rwork | 0.189 |
R-free | 0.23870 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.003 |
RMSD bond angle | 0.560 |
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 | 2.050 |
High resolution limit [Å] | 1.980 | 4.260 | 1.980 |
Rmerge | 0.099 | 0.041 | 0.473 |
Number of reflections | 25044 | ||
<I/σ(I)> | 8.7 | ||
Completeness [%] | 87.2 | 99.8 | 42.8 |
Redundancy | 8.8 | 10.8 | 3.2 |
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 |