5IT2
Structure of a transglutaminase 2-specific autoantibody 693-10-B06 Fab fragment
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 | 2014-02-20 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.87260 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.592, 63.383, 104.811 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.867 - 1.700 |
| R-factor | 0.1861 |
| Rwork | 0.185 |
| R-free | 0.20370 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4zd3 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.10.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.240 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.082 | 0.509 |
| Number of reflections | 54158 | |
| <I/σ(I)> | 25.2 | 2.1 |
| Completeness [%] | 98.1 | 99.2 |
| Redundancy | 3.6 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1M Tris, pH=8.5, 20%v/v Ethanol |
