6I1O
Fab fragment of an antibody selective for wild-type alpha-1-antitrypsin
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-08 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 99.198, 99.198, 80.073 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 85.910 - 1.930 |
| R-factor | 0.2004 |
| Rwork | 0.199 |
| R-free | 0.23520 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ae6 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.750 |
| Data reduction software | xia2 (1.10.2-g9c23cb36c-release) |
| Data scaling software | xia2 (1.10.2-g9c23cb36c-release) |
| Phasing software | PHASER (2.8.1) |
| Refinement software | PHENIX (1.13-2998) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 85.910 | 85.990 | 1.960 |
| High resolution limit [Å] | 1.930 | 5.240 | 1.930 |
| Rmerge | 0.186 | 0.041 | 2.342 |
| Rmeas | 0.191 | 0.043 | 2.468 |
| Rpim | 0.043 | 0.013 | 0.777 |
| Number of reflections | 665286 | 448 | 2505 |
| <I/σ(I)> | 11.6 | 37.4 | 1.4 |
| Completeness [%] | 100.0 | 100 | 100 |
| Redundancy | 19.2 | 17.4 | 19.4 |
| CC(1/2) | 0.999 | 0.999 | 0.574 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 20% PEG 3350, 0.2M Ammonium Sulfate, 0.1M Bis-Tris pH 6.0 |
