4RJ6
EGFR kinase (T790M/L858R) with inhibitor compound 4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.2 |
| Synchrotron site | ALS |
| Beamline | 5.0.2 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2013-11-06 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.00003 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 146.272, 146.272, 146.272 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.260 - 2.700 |
| R-factor | 0.2086 |
| Rwork | 0.207 |
| R-free | 0.24510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m17 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.090 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 2.700 |
| Number of reflections | 14414 |
| <I/σ(I)> | 20 |
| Completeness [%] | 99.9 |
| Redundancy | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 292 | PEG 10,000, ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
