8S80
Domains 4 and 5 of Sap S-layer protein from Bacillus anthracis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-13 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.97856 |
| Spacegroup name | P 1 |
| Unit cell lengths | 59.304, 63.539, 73.659 |
| Unit cell angles | 68.31, 81.61, 82.74 |
Refinement procedure
| Resolution | 39.940 - 2.480 |
| R-factor | 0.2226 |
| Rwork | 0.220 |
| R-free | 0.26680 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.001 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 58.480 | 2.521 |
| High resolution limit [Å] | 2.478 | 2.478 |
| Rpim | 0.045 | |
| Number of reflections | 34369 | 1715 |
| <I/σ(I)> | 9.6 | 2.2 |
| Completeness [%] | 98.2 | |
| Redundancy | 3.6 | |
| CC(1/2) | 0.849 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 294 | 0.1M MMT (Malic Acid, MES and TRIS (1:2:2 Molar Ratio)) pH7 and 25% w/v PEG 1500 |
