5FEQ
EGFR KINASE DOMAIN IN COMPLEX WITH A COVALENT AMINOBENZIMIDAZOLE
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 | 2012-02-19 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97648 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 145.715, 145.715, 145.715 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 21.120 - 3.400 |
| R-factor | 0.1701 |
| Rwork | 0.164 |
| R-free | 0.22240 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jit |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.190 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.11.2) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.520 |
| High resolution limit [Å] | 3.400 | 3.400 |
| Rmerge | 0.216 | 0.956 |
| Number of reflections | 7241 | |
| <I/σ(I)> | 10.4 | 2.18 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.1 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.25 | 294 | 100mM HEPES pH 7.25, 0.20M Lithium Sulphate, 32% PEG-3350 |
