7ZYQ
Crystal Structure of EGFR-T790M/V948R in Complex with Reversible Aminopyrimidine 13
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-17 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 75.890, 79.590, 89.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.820 - 2.100 |
R-factor | 0.199 |
Rwork | 0.198 |
R-free | 0.22300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6s89 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.820 | 2.200 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmeas | 0.066 | 0.781 |
Number of reflections | 32296 | 4144 |
<I/σ(I)> | 16.92 | 2.75 |
Completeness [%] | 99.9 | 100 |
Redundancy | 6.73 | 6.66 |
CC(1/2) | 0.999 | 0.809 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 27.5 % PEG3350, 100 mM MgSO4, 2 % ethylen glycole, 6.4 mg/mL EGFR-T790M/V948R (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP, pH 8.0) 1 ul reservoir + 1 ul protein solution) |