6Z4D
Crystal Structure of EGFR-T790M/V948R in Complex with Mavelertinib and EAI001
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 | 2020-03-31 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9999 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.610, 83.900, 89.270 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.790 - 2.000 |
R-factor | 0.1945 |
Rwork | 0.193 |
R-free | 0.22140 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6s8a |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.790 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmeas | 0.091 | 1.648 |
Number of reflections | 39566 | 5312 |
<I/σ(I)> | 16.12 | 1.8 |
Completeness [%] | 100.0 | 100 |
Redundancy | 13.44 | 13.75 |
CC(1/2) | 0.999 | 0.780 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 27.5 % PEG3350, 100 mM MgSO4, 2 % ethylen glycole, 5.0 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) |