7JXI
EGFR kinase (T790M/V948R) in complex with PF-06747775
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 24-ID-C |
Synchrotron site | APS |
Beamline | 24-ID-C |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-12-10 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97780 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 70.630, 100.778, 87.155 |
Unit cell angles | 90.00, 101.17, 90.00 |
Refinement procedure
Resolution | 85.500 - 3.000 |
R-factor | 0.2782 |
Rwork | 0.276 |
R-free | 0.31210 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5d41 |
Data reduction software | xia2 |
Data scaling software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 100.780 | 100.830 | 3.050 |
High resolution limit [Å] | 3.000 | 8.140 | 3.000 |
Rmeas | 0.263 | 0.088 | 1.395 |
Rpim | 0.102 | 0.033 | 0.580 |
Total number of observations | 154096 | 8108 | 6357 |
Number of reflections | 23783 | 1243 | 1166 |
<I/σ(I)> | 5.5 | 20.2 | 0.9 |
Completeness [%] | 98.6 | 99 | 96.4 |
Redundancy | 6.5 | 6.5 | 5.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1 M Bis-Tris pH 5.5, 28% (w/v) PEG 3350 |