6B3S
Crystal structure of the Fab fragment of necitumumab (Fab11F8) in complex with domain III from a cetuximab resistant variant of EGFR (sEGFRd3-S468R)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-08-15 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0332 |
| Spacegroup name | P 1 2 1 |
| Unit cell lengths | 151.943, 80.756, 172.901 |
| Unit cell angles | 90.00, 91.50, 90.00 |
Refinement procedure
| Resolution | 47.000 - 2.800 |
| R-factor | 0.209 |
| Rwork | 0.208 |
| R-free | 0.24500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3b2u |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.658 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.930 |
| High resolution limit [Å] | 2.795 | 2.800 |
| Rmerge | 0.162 | 0.703 |
| Number of reflections | 100220 | |
| <I/σ(I)> | 6 | |
| Completeness [%] | 97.0 | 94.9 |
| Redundancy | 4.2 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 50 mM sodium acetate, 200 mM potassium citrate, 15-20% PEG3350 |
