2JIV
Crystal structure of EGFR kinase domain T790M mutation in compex with HKI-272
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-10-28 |
| Detector | ADSC CCD |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.087, 98.989, 73.326 |
| Unit cell angles | 90.00, 109.94, 90.00 |
Refinement procedure
| Resolution | 25.000 - 3.500 |
| R-factor | 0.253 |
| Rwork | 0.251 |
| R-free | 0.28400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gs7 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.046 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.3.0026) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.770 |
| High resolution limit [Å] | 3.500 | 3.500 |
| Rmerge | 0.180 | 0.400 |
| Number of reflections | 8699 | |
| <I/σ(I)> | 5.8 | 2.8 |
| Completeness [%] | 91.3 | 93 |
| Redundancy | 2.7 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.1M HEPES PH7.0, 0.2M LI2SO4, 28% PEG3350, 5MM TCEP, pH 7.5 |
