9I4Z
Crystal structure of Thomasclavelia ramosa IgA peptidase (IgAse) active site mutant (E330-N876)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALBA BEAMLINE XALOC |
| Synchrotron site | ALBA |
| Beamline | XALOC |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-19 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.9792 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.150, 87.830, 67.470 |
| Unit cell angles | 90.00, 96.11, 90.00 |
Refinement procedure
| Resolution | 45.890 - 1.750 |
| R-factor | 0.1784 |
| Rwork | 0.178 |
| R-free | 0.21330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 0.880 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.900 | 1.860 |
| High resolution limit [Å] | 1.750 | 1.750 |
| Rmerge | 0.077 | 1.563 |
| Rmeas | 0.083 | |
| Number of reflections | 53460 | 8622 |
| <I/σ(I)> | 13.3 | 1.23 |
| Completeness [%] | 99.1 | 96 |
| Redundancy | 6.4 | 4.9 |
| CC(1/2) | 0.990 | 0.458 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | PEG3350, sodium fluoride |
