8T8G
C208A Streptococcus pyogenes Sortase A (spySrtA) bound to LPALA peptide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2023-05-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97741 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 34.114, 57.477, 71.320 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.660 - 1.500 |
| R-factor | 0.1926 |
| Rwork | 0.190 |
| R-free | 0.21510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.916 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 35.660 | 1.590 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 43124 | 6735 |
| <I/σ(I)> | 27.2 | 3.27 |
| Completeness [%] | 99.3 | 96 |
| Redundancy | 6.28 | 4.2 |
| CC(1/2) | 1.000 | 0.928 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.1 M Tris, 30% PEG 8000, 0.25 M sodium acetate |
