7KXZ
Active conformation of EGFR kinase in complex with BI-4020
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 | 2020-07-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 145.293, 145.293, 145.293 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.370 - 2.400 |
| R-factor | 0.1914 |
| Rwork | 0.190 |
| R-free | 0.21880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5d41 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.19_4080) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 51.370 | 51.380 | 2.440 |
| High resolution limit [Å] | 2.400 | 6.510 | 2.400 |
| Rmeas | 0.065 | 0.040 | 0.600 |
| Rpim | 0.028 | 0.017 | 0.257 |
| Total number of observations | 103473 | 5117 | 5307 |
| Number of reflections | 19877 | 996 | 999 |
| <I/σ(I)> | 17.6 | 44.7 | 2.2 |
| Completeness [%] | 98.9 | 93.3 | 99.9 |
| Redundancy | 5.2 | 5.1 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.1 M MES pH 6.5, 0.8 M sodium citrate |
