8SNQ
Streptococcus pyogenes Sortase A (SrtA) with the F145E mutation
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 | 2023-03-25 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97741 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 57.222, 34.299, 71.229 |
| Unit cell angles | 90.00, 97.41, 90.00 |
Refinement procedure
| Resolution | 35.320 - 1.500 |
| R-factor | 0.1835 |
| Rwork | 0.181 |
| R-free | 0.20720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.935 |
| 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] | 35.320 | 1.580 |
| High resolution limit [Å] | 1.500 | 1.500 |
| Number of reflections | 21772 | 3148 |
| <I/σ(I)> | 18.08 | 2.03 |
| Completeness [%] | 97.8 | 87.3 |
| Redundancy | 6.3 | 4.5 |
| CC(1/2) | 0.999 | 0.804 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 24% (w/v) PEG 8000, 0.15 M sodium acetate, 0.1 M Tris pH 6.0 |
