6LIO
Crystal structure of human PDK2 complexed with GM67520
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
| Synchrotron site | PAL/PLS |
| Beamline | 7A (6B, 6C1) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-03-23 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 56.949, 95.122, 162.503 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 36.530 - 1.760 |
| R-factor | 0.236 |
| Rwork | 0.234 |
| R-free | 0.26880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mp2 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.595 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0257) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.790 |
| High resolution limit [Å] | 1.760 | 4.780 | 1.760 |
| Rmerge | 0.094 | 0.054 | 1.734 |
| Rmeas | 0.101 | 0.058 | 1.889 |
| Rpim | 0.037 | 0.022 | 0.736 |
| Total number of observations | 647193 | ||
| Number of reflections | 86058 | 4687 | 4369 |
| <I/σ(I)> | 8 | ||
| Completeness [%] | 97.4 | 98.6 | 99.8 |
| Redundancy | 7.5 | 7 | 6.4 |
| CC(1/2) | 0.996 | 0.550 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M Ammonium sulfate, 0.1M Bis-Tris pH 6.5, 25% Polyethylene glycol 3350 |
