4RJ5
EGFR kinase (T790M/L858R) with inhibitor compound 5
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2012-03-07 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.977408 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 146.801, 146.801, 146.801 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 50.000 - 3.100 |
| R-factor | 0.1952 |
| Rwork | 0.194 |
| R-free | 0.22870 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m17 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.010 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.4) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 103.800 |
| High resolution limit [Å] | 3.100 |
| Rmerge | 0.100 |
| Number of reflections | 9703 |
| <I/σ(I)> | 28.1 |
| Completeness [%] | 99.0 |
| Redundancy | 13.4 |
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 |
