8S83
Domains 3 and 6 of Sap S-layer protein from Bacillus anthracis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-08 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 40.154, 61.010, 97.658 |
| Unit cell angles | 90.00, 91.50, 90.00 |
Refinement procedure
| Resolution | 51.740 - 2.070 |
| R-factor | 0.2037 |
| Rwork | 0.201 |
| R-free | 0.25750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.957 |
| 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] | 97.620 | 2.104 |
| High resolution limit [Å] | 2.069 | 2.069 |
| Rpim | 0.069 | |
| Number of reflections | 29030 | 1491 |
| <I/σ(I)> | 8.1 | 0.9 |
| Completeness [%] | 100.0 | |
| Redundancy | 6.9 | |
| CC(1/2) | 0.997 | 0.336 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 294 | 0.1 M of sodium Hepes (pH 7.5) and 25% w/v PEG 2000 MME |
