8HV6
Crystal structure of EGFR_TMX in complex with covalently bound fragment 8
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | BRUKER TURBO X-RAY SOURCE |
| Temperature [K] | 110 |
| Detector technology | CMOS |
| Collection date | 2019-01-28 |
| Detector | BRUKER PHOTON 100 |
| Wavelength(s) | 1.54184 |
| Spacegroup name | I 2 3 |
| Unit cell lengths | 143.818, 143.818, 143.818 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| R-factor | 0.2493 |
| Rwork | 0.247 |
| R-free | 0.29574 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5edq |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.729 |
| Data reduction software | SADABS |
| Data scaling software | SAINT |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.760 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.137 | 0.626 |
| Number of reflections | 33119 | 4198 |
| <I/σ(I)> | 12.9 | 2.4 |
| Completeness [%] | 98.9 | 93.2 |
| Redundancy | 13.28 | 6.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 292 | 0.1M TRIS pH 8.5, 0.15M Sodium citrate, 25%PEG400 |
