6TFW
Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 18d
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 | 2018-11-24 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9999 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.100, 81.200, 90.300 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.299 - 2.000 |
R-factor | 0.224 |
Rwork | 0.223 |
R-free | 0.24470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5j9z |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 47.300 | 2.100 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmeas | 0.055 | 1.335 |
Number of reflections | 38474 | 5168 |
<I/σ(I)> | 17.84 | 1.63 |
Completeness [%] | 99.9 | |
Redundancy | 6.48 | |
CC(1/2) | 1.000 | 0.734 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 30 % PEG3350, 100 mM MgSO4, 4 % ethylen glycole 7.0 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) |