4HJO
Crystal structure of the inactive EGFR tyrosine kinase domain with erlotinib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 77 |
| Detector technology | CCD |
| Collection date | 2010-04-06 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 1.03319 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 77.967, 114.284, 84.918 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.450 - 2.750 |
| R-factor | 0.23141 |
| Rwork | 0.230 |
| R-free | 0.25337 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3gt8 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.081 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.800 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Number of reflections | 9863 | |
| <I/σ(I)> | 12.8 | 2.1 |
| Completeness [%] | 96.6 | 82.1 |
| Redundancy | 4.8 | 2.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 294.15 | 0.25 M sodium thiocyanate, 27% w/v PEG3350, 10 mM taurine, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 294.15K |
