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 |