6LIN
Crystal structure of human PDK2 complexed with GM10030
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 | 2019-04-10 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.420, 156.186, 102.012 |
| Unit cell angles | 90.00, 103.97, 90.00 |
Refinement procedure
| Resolution | 39.080 - 2.670 |
| R-factor | 0.2261 |
| Rwork | 0.223 |
| R-free | 0.27970 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4mp2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.512 |
| 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 | 2.720 |
| High resolution limit [Å] | 2.670 | 7.240 | 2.670 |
| Rmerge | 0.221 | 0.062 | 1.399 |
| Rmeas | 0.245 | 0.070 | 1.548 |
| Rpim | 0.104 | 0.031 | 0.654 |
| Total number of observations | 259808 | ||
| Number of reflections | 49194 | 2471 | 2470 |
| <I/σ(I)> | 4.7 | ||
| Completeness [%] | 99.8 | 98.3 | 99.7 |
| Redundancy | 5.3 | 5 | 5.2 |
| CC(1/2) | 0.996 | 0.412 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M Lithium sulfate monohydrate, 0.1M Bis-Tris pH 6.5, 25% w/v Polyethylene glycol 3350 |
