9K3G
Crystal structure of Sortase A from Streptococcus pyogenes in complex with T10
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-22 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 34.451, 34.451, 394.345 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 29.840 - 1.230 |
| R-factor | 0.19419 |
| Rwork | 0.193 |
| R-free | 0.20841 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.121 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.840 | 1.260 |
| High resolution limit [Å] | 1.230 | 1.230 |
| Number of reflections | 79844 | 4633 |
| <I/σ(I)> | 11.1 | |
| Completeness [%] | 97.3 | |
| Redundancy | 16.4 | |
| CC(1/2) | 0.997 | 0.840 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.1 M Bis-Tris pH 5.7, 0.2 M Magnesium chloride hexahydrate, 35% (w/v) polyethylene glycol 3350 |
