3NAX
PDK1 in complex with inhibitor MP7
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-BM |
Synchrotron site | APS |
Beamline | 17-BM |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-04-16 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 1 |
Spacegroup name | P 1 |
Unit cell lengths | 44.668, 44.943, 42.204 |
Unit cell angles | 109.27, 90.50, 62.43 |
Refinement procedure
Resolution | 11.410 - 1.750 |
R-factor | 0.1655 |
Rwork | 0.164 |
R-free | 0.19500 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.010 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | AMoRE |
Refinement software | BUSTER (2.9.4) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.760 |
High resolution limit [Å] | 1.730 | 1.730 |
Number of reflections | 27466 | |
<I/σ(I)> | 30 | 7.8 |
Completeness [%] | 97.0 | 94 |
Redundancy | 3.9 | 3.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | VAPOR DIFFUSION, SITTING DROP |