3BI6
Wee1 kinase complex with inhibitor PD352396
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RUH3R |
| Temperature [K] | 113 |
| Detector technology | IMAGE PLATE |
| Collection date | 2002-02-09 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.54179 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 68.330, 68.330, 157.311 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.200 |
| R-factor | 0.20279 |
| Rwork | 0.200 |
| R-free | 0.25052 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1x8b |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.082 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.4.0061) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 62.620 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.115 | 0.592 |
| Number of reflections | 19646 | |
| <I/σ(I)> | 50 | 9.2 |
| Completeness [%] | 99.5 | 98.7 |
| Redundancy | 18 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | HEPES, NaCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
