8BL3
De novo single-chain immunoglobulin dimer scIg12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-01-21 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 72.013, 72.013, 97.067 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.090 - 2.800 |
| R-factor | 0.2302 |
| Rwork | 0.225 |
| R-free | 0.28450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | prediction |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.250 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.530 | 2.950 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 6749 | 954 |
| <I/σ(I)> | 16.2 | |
| Completeness [%] | 99.9 | |
| Redundancy | 11.4 | 12.1 |
| CC(1/2) | 1.000 | 0.585 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 45% v/v 2-methyl-2,4-pentanediol (MPD), 0.2 M calcium chloride, 0.1 M Bis-Tris at pH 6.5 |
