3EFW
Structure of AuroraA with pyridyl-pyrimidine urea inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 130 |
| Detector technology | IMAGE PLATE |
| Collection date | 2004-05-19 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 118.511, 125.448, 75.752 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.630 - 2.290 |
| R-factor | 0.26001 |
| Rwork | 0.258 |
| R-free | 0.29467 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.018 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.410 |
| High resolution limit [Å] | 2.290 | 2.290 |
| Rmerge | 0.062 | 0.316 |
| Number of reflections | 22081 | |
| <I/σ(I)> | 21.1 | 3.4 |
| Completeness [%] | 89.8 | 60.6 |
| Redundancy | 3.6 | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 4.6 | 273 | 0.1 M Sodium Acetate, 0.4 M Ammonium Sulfate, 15% PEG 4000, pH 4.6, VAPOR DIFFUSION, temperature 273K |
