5GMP
Crystal structure of EGFR 696-1022 T790M in complex with XTF-262
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-09-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97776 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 145.343, 145.343, 145.343 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.961 - 2.797 |
| R-factor | 0.2134 |
| Rwork | 0.212 |
| R-free | 0.24080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2jit |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.162 |
| Data reduction software | DENZO |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.961 | 2.950 |
| High resolution limit [Å] | 2.797 | 2.800 |
| Number of reflections | 12713 | |
| <I/σ(I)> | 18.7 | |
| Completeness [%] | 99.4 | |
| Redundancy | 11 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 150mM KCl, 0.1M HEPES (pH 8.0), 38% PEG 300, 50mM Glycyl-glycyl-glycine, 10mM Co-enzyme A (pH 8.0), 2mM TCEP |
