8OXW
Transglutaminase 3 in complex with DH patient-derived Fab DH63-B02
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-3 |
Synchrotron site | ESRF |
Beamline | MASSIF-3 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-05-31 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 0.9677 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.505, 93.488, 90.644 |
Unit cell angles | 90.00, 92.63, 90.00 |
Refinement procedure
Resolution | 45.315 - 1.700 |
Rwork | 0.172 |
R-free | 0.21010 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.733 |
Data reduction software | DIALS (2.2.10) |
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] | 50.020 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmerge | 0.059 | 1.024 |
Rmeas | 0.083 | 1.436 |
Rpim | 0.058 | 1.005 |
Number of reflections | 146920 | 7313 |
<I/σ(I)> | 7.1 | |
Completeness [%] | 98.7 | |
Redundancy | 3 | 2.9 |
CC(1/2) | 0.995 | 0.359 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 298 | 0.1M HEPES-MOPS pH 7.1, 22% ethylene glycol, 11% PEG8000, 10 mM CaCl2, 10 mM MgCl2 |