6WGK
Fab portion of dupilumab with Crystal Kappa design and intrachain disulfide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2019-02-05 |
| Detector | RAYONIX MX225-HS |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 109.156, 79.265, 109.556 |
| Unit cell angles | 90.00, 91.87, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.620 |
| R-factor | 0.211 |
| Rwork | 0.210 |
| R-free | 0.23640 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6wgb |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.999 |
| Data reduction software | MOSFLM |
| Data scaling software | Aimless (0.7.1) |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 109.500 | 109.500 | 1.710 |
| High resolution limit [Å] | 1.620 | 5.130 | 1.620 |
| Rmerge | 0.052 | 0.041 | 0.454 |
| Rmeas | 0.061 | 0.048 | 0.533 |
| Rpim | 0.032 | 0.025 | 0.276 |
| Total number of observations | 809633 | 25762 | 119674 |
| Number of reflections | 225219 | 7290 | 32895 |
| <I/σ(I)> | 12.6 | 27.5 | 2.5 |
| Completeness [%] | 95.5 | 94.5 | 95.7 |
| Redundancy | 3.6 | 3.5 | 3.6 |
| CC(1/2) | 0.998 | 0.997 | 0.861 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 100mM Tris HCl pH 8.5, 20% PEG MME 2K , 200mM Trimethylamine N-oxide dihydrate |
