7SJQ
Ex silico engineering of cystine-dense peptides yielding a potent bispecific T-cell engager
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-09-09 |
| Detector | RIGAKU HyPix-6000HE |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 56.040, 65.330, 99.912 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.040 - 2.000 |
| R-factor | 0.1928 |
| Rwork | 0.191 |
| R-free | 0.23200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5c3t |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.505 |
| Data reduction software | CrysalisPro |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.910 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.039 | 0.154 |
| Number of reflections | 12762 | 1278 |
| <I/σ(I)> | 32.45 | 8.26 |
| Completeness [%] | 99.8 | |
| Redundancy | 4.6 | |
| CC(1/2) | 0.999 | 0.968 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 300 | Sodium Citrate pH 7, ammonium sulfate |
