6EN3
Crystal structure of full length EndoS from Streptococcus pyogenes in complex with G2 oligosaccharide.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-12-02 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.980105 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 77.640, 90.080, 104.370 |
| Unit cell angles | 90.00, 110.44, 90.00 |
Refinement procedure
| Resolution | 45.040 - 2.903 |
| R-factor | 0.2109 |
| Rwork | 0.209 |
| R-free | 0.23950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4nuz |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.578 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.10.1_2155: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.040 | 3.007 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.096 | 0.781 |
| Number of reflections | 118762 | |
| <I/σ(I)> | 10.6 | |
| Completeness [%] | 98.8 | 100 |
| Redundancy | 4 | 4.1 |
| CC(1/2) | 0.999 | 0.852 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 100 mM Sodium HEPES/MOPS pH 7.5, 100 mM aminoacids (L-Na-Glutamate, alanine (racemic), glycine, lysine HCL (racemic), serine (racemic)), 20% (w/v) PEG 500 MME and 10% (w/v) PEG 20,000 |
