3W2O
EGFR Kinase domain T790M/L858R Mutant with TAK-285
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-21 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97649 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 143.953, 143.953, 143.953 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.350 |
| R-factor | 0.182 |
| Rwork | 0.180 |
| R-free | 0.21556 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m14 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.366 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.390 |
| High resolution limit [Å] | 2.350 | 2.350 |
| Number of reflections | 20719 | |
| <I/σ(I)> | 29.1 | 2.6 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8 | 8.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M Bis-tris propane pH 6.5, 35% Tacsimate, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
