7ER2
Crystal structure of EGFR 696-1022 T790M/C797S in complex with LS_2_40
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 | 2018-07-18 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.988 |
Spacegroup name | I 2 3 |
Unit cell lengths | 145.926, 145.926, 145.926 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 28.618 - 2.662 |
R-factor | 0.1995 |
Rwork | 0.195 |
R-free | 0.24170 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5zto |
RMSD bond length | 0.008 |
RMSD bond angle | 1.024 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.12_2829) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.740 |
High resolution limit [Å] | 2.650 | 2.650 |
Rpim | 0.056 | 0.541 |
Number of reflections | 14931 | 14931 |
<I/σ(I)> | 21 | |
Completeness [%] | 100.0 | |
Redundancy | 36.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 38% PEG 300, 150 mM KCl, 0.1 M HEPES (pH 8.0) |