2IN6
Wee1 kinase complex with inhibitor PD311839
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-03-28 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 69.465, 69.465, 157.344 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.900 |
| R-factor | 0.25042 |
| Rwork | 0.248 |
| R-free | 0.29862 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x8b |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.933 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.960 |
| High resolution limit [Å] | 1.890 | 1.890 |
| Rmerge | 0.088 | 0.329 |
| Number of reflections | 29232 | |
| <I/σ(I)> | 24 | 2.1 |
| Completeness [%] | 92.7 | 71.9 |
| Redundancy | 7.9 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | HEPES, sodium chloride, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
