8CRC
Structure of human Plk1 PBD in complex with Allopole-A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-06-10 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.999 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 39.359, 51.905, 51.446 |
| Unit cell angles | 90.00, 106.64, 90.00 |
Refinement procedure
| Resolution | 37.710 - 1.650 |
| R-factor | 0.1791 |
| Rwork | 0.177 |
| R-free | 0.21860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.351 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.290 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.068 | 0.881 |
| Rmeas | 0.080 | 1.034 |
| Rpim | 0.042 | 0.536 |
| Number of reflections | 23444 | 1144 |
| <I/σ(I)> | 9.7 | 2 |
| Completeness [%] | 97.6 | 96.4 |
| Redundancy | 7 | 7.1 |
| CC(1/2) | 0.999 | 0.883 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 295 | 12% (w/v) PEG 3350, 0.1 M MES |
