6JRJ
The structure of co-crystals of 8r-B-EGFR T790M/C797S complex
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 | 2018-07-08 |
Detector | DECTRIS PILATUS 300K |
Wavelength(s) | 0.97930 |
Spacegroup name | I 2 3 |
Unit cell lengths | 148.072, 148.072, 148.072 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 37.018 - 2.943 |
R-factor | 0.2073 |
Rwork | 0.203 |
R-free | 0.24650 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.297 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHENIX |
Refinement software | PHENIX ((1.12_2829: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 3.180 |
High resolution limit [Å] | 2.940 | 2.950 |
Number of reflections | 11601 | |
<I/σ(I)> | 21.2 | |
Completeness [%] | 100.0 | |
Redundancy | 38.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1 M HEPES pH 8.5, 40% PEG 400, 0.15 M NaCl, 5 mM tris(2-carboxyethyl)-phosphine (TCEP) |