7JXK
EGFR kinase (T790M/V948R) in complex with PF-06747775 and JBJ-04-125-02
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 |
| Unit cell lengths | 66.853, 87.369, 91.313 |
| Unit cell angles | 62.06, 85.58, 73.33 |
Refinement procedure
| Resolution | 80.480 - 3.100 |
| R-factor | 0.2234 |
| Rwork | 0.222 |
| R-free | 0.26090 |
| 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] | 80.480 | 80.510 | 3.150 |
| High resolution limit [Å] | 3.100 | 8.410 | 3.100 |
| Rmeas | 0.183 | 0.043 | 1.253 |
| Rpim | 0.094 | 0.022 | 0.650 |
| Total number of observations | 106143 | 5462 | 4931 |
| Number of reflections | 28896 | 1450 | 1417 |
| <I/σ(I)> | 8 | 30.3 | 1 |
| Completeness [%] | 91.3 | 92 | 89.9 |
| Redundancy | 3.7 | 3.8 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 0.1 M Bis-Tris pH 5.5, 30% (w/v) PEG 3350 |
