5Y9T
Crystal Structure of EGFR T790M mutant in complex with naquotinib
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE AR-NE3A |
| Synchrotron site | Photon Factory |
| Beamline | AR-NE3A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-12 |
| Detector | ADSC QUANTUM 270 |
| Wavelength(s) | 1.0 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 144.640, 144.640, 144.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 102.280 - 3.250 |
| R-factor | 0.19728 |
| Rwork | 0.195 |
| R-free | 0.24021 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ika |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.711 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 102.280 | 3.320 |
| High resolution limit [Å] | 3.250 | 3.250 |
| Rmerge | 0.107 | 0.414 |
| Number of reflections | 8074 | 403 |
| <I/σ(I)> | 43.61 | 9.75 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 10.2 | 10.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M Hepes-Na 7.0-7.5, 1.3-1.5M potassium sodium tartrate |
