7ZYP
Crystal Structure of EGFR-T790M/C797S in Complex with Reversible Aminopyrimidine 9
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 | 2020-02-05 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 0.9998 |
Spacegroup name | I 2 3 |
Unit cell lengths | 141.800, 141.800, 141.800 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.840 - 2.800 |
R-factor | 0.2002 |
Rwork | 0.199 |
R-free | 0.22810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6s89 |
RMSD bond length | 0.003 |
RMSD bond angle | 0.601 |
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] | 44.840 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmeas | 0.139 | 2.831 |
Number of reflections | 11850 | 1162 |
<I/σ(I)> | 21.67 | 2.11 |
Completeness [%] | 100.0 | 100 |
Redundancy | 38.28 | 42.91 |
CC(1/2) | 1.000 | 0.681 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 1.5 K-Na-tartrate, 100 mM Na-MES (pH 7.5), 5.5 mg/mL EGFR-WT (in 100 mM NaCl, 25 mM Tris-HCl, 10 % glycerol, 1 mM TCEP) pH 8.0) 1 ul reservoir + 1 ul solution |