4ZD3
Structure of a transglutaminase 2-specific autoantibody Fab fragment
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-22 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.979093 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.340, 61.380, 79.050 |
| Unit cell angles | 90.00, 100.90, 90.00 |
Refinement procedure
| Resolution | 49.432 - 2.400 |
| R-factor | 0.2037 |
| Rwork | 0.200 |
| R-free | 0.26380 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | Contant and variable domains of heavy chain PDB code 4HPO and a light chain PDB code 1DFB |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.277 |
| Data reduction software | MOSFLM (7.1.0) |
| Data scaling software | Aimless (5.8.0049) |
| Phasing software | PHASER (5.8.0049) |
| Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.530 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.605 | |
| Number of reflections | 18701 | |
| <I/σ(I)> | 9.3 | 2.4 |
| Completeness [%] | 99.2 | 99.5 |
| Redundancy | 3.4 | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.01 M nickel (II) chloride hexahydrate, 0.1 M Tris pH=8.5, 20% w/v polyethylene glycol monomethyl ether 2000 |
