5GNK
Crystal structure of EGFR 696-988 T790M in complex with LXX-6-34
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL19U1 |
Synchrotron site | SSRF |
Beamline | BL19U1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-07-01 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.97853 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 106.004, 106.004, 73.791 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.406 - 1.796 |
R-factor | 0.1658 |
Rwork | 0.165 |
R-free | 0.17660 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2jit |
RMSD bond length | 0.024 |
RMSD bond angle | 1.512 |
Data reduction software | DENZO |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 47.423 |
High resolution limit [Å] | 1.796 |
Number of reflections | 39654 |
<I/σ(I)> | 37.67 |
Completeness [%] | 99.7 |
Redundancy | 24.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 4.8M NaNO3 ,0.1M B-Tris propone pH 6.5, 5mM TCEP |