3W2P
EGFR Kinase domain T790M/L858R mutant with compound 2
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 | 2011-10-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97649 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 144.980, 144.980, 144.980 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.050 |
| R-factor | 0.18071 |
| Rwork | 0.179 |
| R-free | 0.20630 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m14 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.334 |
| 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 | 2.090 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Number of reflections | 31848 | |
| <I/σ(I)> | 25.6 | 2 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 5.5 | 5.5 |
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 |
