7UEM
Genomic and structural basis for the human anti-alpha-galactosyl antibody response
Replaces: 6NV0Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-08-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9537 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 86.937, 65.931, 151.513 |
| Unit cell angles | 90.00, 90.91, 90.00 |
Refinement procedure
| Resolution | 42.974 - 2.314 |
| R-factor | 0.191 |
| Rwork | 0.189 |
| R-free | 0.23110 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | generic Fab |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.804 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.3) |
| Phasing software | PHASER (2.8.2) |
| Refinement software | PHENIX (1.11.1-2575) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.460 | 43.460 | 2.400 |
| High resolution limit [Å] | 2.310 | 8.960 | 2.310 |
| Rmerge | 0.112 | 0.064 | 0.519 |
| Rmeas | 0.123 | 0.071 | 0.574 |
| Rpim | 0.050 | 0.029 | 0.239 |
| Total number of observations | 215453 | 4005 | 18537 |
| Number of reflections | 37114 | 674 | 3434 |
| <I/σ(I)> | 10 | 24.6 | 3 |
| Completeness [%] | 98.6 | 98.3 | 92.9 |
| Redundancy | 5.8 | 5.9 | 5.4 |
| CC(1/2) | 0.995 | 0.994 | 0.857 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 | Equal volumes of protein (in 25 mM Tris, 100 mM NaCl) were combined with well solution (1 M LiCl2, 100 mM citrate (pH 4.0), 20% (w/v) PEG6000 |
