7S51
Structure of C208A Sortase A from Streptococcus pyogenes bound to LPATA 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 | 2020-12-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.977410 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 58.979, 64.566, 75.019 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.937 - 1.400 |
| R-factor | 0.2146 |
| Rwork | 0.213 |
| R-free | 0.23750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3fn5 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.988 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.4) |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 48.940 | 10.000 | 1.420 |
| High resolution limit [Å] | 1.400 | 7.540 | 1.400 |
| Rmerge | 0.097 | 0.092 | 0.479 |
| Rmeas | 0.101 | 0.096 | 0.506 |
| Rpim | 0.028 | 0.027 | 0.160 |
| Total number of observations | 719759 | ||
| Number of reflections | 57131 | 439 | 2855 |
| <I/σ(I)> | 13.6 | ||
| Completeness [%] | 99.9 | 99.9 | 99.1 |
| Redundancy | 12.6 | 11.9 | 9.8 |
| CC(1/2) | 0.998 | 0.997 | 0.953 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 298 | 0.1 M Tris pH 6, 34% (w/v) PEG 8000, 0.1 M sodium acetate |
