8OXV
Transglutaminase 3 zymogen in complex with DH patient-derived Fab DH63-B02
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-02-25 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.8731 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.659, 94.040, 91.143 |
Unit cell angles | 90.00, 93.46, 90.00 |
Refinement procedure
Resolution | 41.806 - 1.800 |
Rwork | 0.185 |
R-free | 0.22900 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.712 |
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] | 41.806 | 1.830 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.096 | 1.167 |
Rmeas | 0.122 | 1.513 |
Rpim | 0.074 | 0.952 |
Number of reflections | 127215 | 6308 |
<I/σ(I)> | 6.7 | |
Completeness [%] | 99.9 | |
Redundancy | 4.5 | 3.9 |
CC(1/2) | 0.987 | 0.457 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.1 | 298 | 0.1M HEPES-MOPS pH7.1, 15% ethylene glycol, 7.5% PEG8000, 6 mM CaCl2, 6 mM MgCl2. 20% Ethylene glycol in the cryo solution. |