8OXY
Transglutaminase 3 without calcium in complex with DH patient-derived Fab DH63-B02
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-24 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.8856 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 80.022, 92.275, 90.359 |
| Unit cell angles | 90.00, 92.31, 90.00 |
Refinement procedure
| Resolution | 58.765 - 2.000 |
| Rwork | 0.176 |
| R-free | 0.22610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.663 |
| Data reduction software | DIALS (3.12.1) |
| Data scaling software | Aimless (0.7.9) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | REFMAC (5.8.0405) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.430 | 2.040 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.112 | 0.920 |
| Rmeas | 0.151 | 1.231 |
| Rpim | 0.100 | 0.812 |
| Number of reflections | 88598 | 4358 |
| <I/σ(I)> | 5.5 | |
| Completeness [%] | 99.9 | |
| Redundancy | 3.7 | 3.7 |
| CC(1/2) | 0.992 | 0.599 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 0.1 M Bicine-Tris pH 8.5, 22% Ethylene glycol, 11% PEG 8000 |
