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 |