9D0Q
Crystal structure of human Wee1 kinase domain in complex with inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-24 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.91210 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 95.232, 98.449, 159.434 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.930 - 1.960 |
| Rwork | 0.209 |
| R-free | 0.27000 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | DIALS (1.14.13) |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHASER |
| Refinement software | PRIME-X |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 51.930 | 2.010 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.065 | 1.504 |
| Rmeas | 0.070 | |
| Rpim | 0.027 | 0.633 |
| Number of reflections | 54027 | 3758 |
| <I/σ(I)> | 12.1 | 1.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.5 | 6.5 |
| CC(1/2) | 0.998 | 0.501 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | hepes, sodiium chloride, pH 7.5 |
