3POZ
EGFR Kinase domain complexed with tak-285
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-12 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 46.806, 68.881, 104.558 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 1.500 |
| R-factor | 0.22 |
| Rwork | 0.219 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 1XKK |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.240 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0109) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.550 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Rmerge | 0.048 | 0.583 |
| Number of reflections | 53697 | |
| <I/σ(I)> | 14 | 2.4 |
| Completeness [%] | 97.8 | 99.2 |
| Redundancy | 5.02 | 4.58 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 293 | pH 6.5, hanging drop vapor diffusion, temperature 20K, temperature 293K |
Crystallization Reagents
| ID | crystal ID | solution ID | reagent name | concentration | details |
| 1 | 1 | 1 | Tris pH 8.0 | 20 mM | |
| 2 | 1 | 1 | DTT | 5 mM | |
| 3 | 1 | 2 | Bis-Tris pH 6.5 | 0.1 M | |
| 4 | 1 | 2 | Li2SO4 | 0.2 M | |
| 5 | 1 | 2 | PEG 3350 | 20% |
