3DZQ
Human EphA3 kinase domain in complex with inhibitor AWL-II-38.3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E SUPERBRIGHT |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2008-07-17 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.54178 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 53.400, 38.093, 75.983 |
| Unit cell angles | 90.00, 101.75, 90.00 |
Refinement procedure
| Resolution | 24.800 - 1.750 |
| R-factor | 0.16285 |
| Rwork | 0.161 |
| R-free | 0.19299 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gsf |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.586 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 1.810 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.040 | 0.082 |
| Number of reflections | 30305 | |
| <I/σ(I)> | 29.939 | 16.659 |
| Completeness [%] | 99.1 | 93.8 |
| Redundancy | 3.3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | 20 mg/mL protein, 30% PEG 4000, 0.2M Ammonium sulfate, 0.1M Sodium cacodylate pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
