8BL6
De novo single-chain immunoglobulin dimer scIg12+EF3a
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 | 2022-10-20 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.50102 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 73.841, 73.841, 96.245 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 58.590 - 2.800 |
R-factor | 0.20744 |
Rwork | 0.202 |
R-free | 0.25711 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | Model prediction |
RMSD bond length | 0.008 |
RMSD bond angle | 1.675 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.590 | 2.950 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.016 | |
Number of reflections | 7030 | 1001 |
<I/σ(I)> | 15.4 | |
Completeness [%] | 100.0 | |
Redundancy | 16.2 | |
CC(1/2) | 0.944 | 0.876 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | PEG MME 2000 20.0%w/v, TRIS 0.1M pH 7.0 |