9D0R
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 | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-03-19 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.91840 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 69.571, 69.571, 157.779 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.010 - 2.340 |
| Rwork | 0.214 |
| R-free | 0.25600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | MOSFLM (7.3.0) |
| Data scaling software | SCALA (3.3.22) |
| Phasing software | PHASER |
| Refinement software | PRIME-X |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.470 |
| High resolution limit [Å] | 2.340 | 2.340 |
| Rmerge | 0.173 | 0.739 |
| Rmeas | 0.182 | 0.772 |
| Rpim | 0.055 | 0.220 |
| Number of reflections | 16942 | 2404 |
| <I/σ(I)> | 9.5 | 3.4 |
| Completeness [%] | 99.1 | 99.2 |
| Redundancy | 11.2 | 11.9 |
| CC(1/2) | 0.987 | 0.917 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | hepes, sodium chloride, pH 7.5 |
