8GUU
Crystal structure of pilus-specific sortase C mutant from Streptococcus sanguinis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-10-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97242 |
| Spacegroup name | H 3 2 |
| Unit cell lengths | 139.455, 139.455, 104.692 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 69.820 - 2.008 |
| R-factor | 0.1848 |
| Rwork | 0.183 |
| R-free | 0.21408 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 8gr6 |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.068 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 69.820 | 2.043 |
| High resolution limit [Å] | 2.008 | 2.008 |
| Rmerge | 0.088 | 1.039 |
| Rpim | 0.026 | 0.348 |
| Number of reflections | 24438 | 12862 |
| <I/σ(I)> | 15.9 | 2.2 |
| Completeness [%] | 93.3 | |
| Redundancy | 11.8 | 9.9 |
| CC(1/2) | 0.999 | 0.871 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5 | 295 | 100 mM Sodium Acetate pH 5.5, 200 mM Ammonium sulphate, and 10 % PEG 2000MME. |
