9VV1
Crystal structure of EGFR kinase (C797S) in complex with LN-B72
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL41XU |
| Synchrotron site | SPring-8 |
| Beamline | BL41XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-05-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 143.643, 143.643, 143.643 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.470 - 2.950 |
| R-factor | 0.22756 |
| Rwork | 0.225 |
| R-free | 0.28113 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.646 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0350) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.470 | 3.130 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rmerge | 0.148 | 1.812 |
| Rmeas | 0.162 | 1.981 |
| Number of reflections | 10542 | 1673 |
| <I/σ(I)> | 14.4 | 1.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 11.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 291 | 1M Succinic acid Ph7.0, 1% PEG2000 MME, 0.1M hepes pH 7.0 |
