3QC4
PDK1 in complex with DFG-OUT inhibitor xxx
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-08-13 |
| Detector | RAYONIX MX225HE |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 183.147, 57.336, 83.694 |
| Unit cell angles | 90.00, 114.13, 90.00 |
Refinement procedure
| Resolution | 30.490 - 1.800 |
| R-factor | 0.17446 |
| Rwork | 0.172 |
| R-free | 0.21321 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.030 |
| RMSD bond angle | 2.288 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.065 | |
| Number of reflections | 72110 | |
| Completeness [%] | 98.3 | 97.8 |
| Redundancy | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 2 M ammonium sulfate, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
