7JXL
EGFR kinase (T790M/V948R) in complex with AZ5104
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-E |
| Synchrotron site | APS |
| Beamline | 24-ID-E |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-07-25 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 71.054, 101.326, 86.952 |
| Unit cell angles | 90.00, 101.36, 90.00 |
Refinement procedure
| Resolution | 60.050 - 2.400 |
| R-factor | 0.2104 |
| Rwork | 0.209 |
| R-free | 0.23930 |
| 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] | 65.230 | 65.260 | 2.440 |
| High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
| Rmeas | 0.186 | 0.071 | 1.603 |
| Rpim | 0.070 | 0.027 | 0.603 |
| Total number of observations | 330030 | 16165 | 16359 |
| Number of reflections | 47165 | 2421 | 2347 |
| <I/σ(I)> | 11.2 | 32.9 | 1.8 |
| Completeness [%] | 99.7 | 99.7 | 99.7 |
| Redundancy | 7 | 6.7 | 7 |
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 |
