8P6J
Structure of the hypervariable region of Streptococcus pyogenes M3 protein in complex with a collagen peptide
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-08-03 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.970 |
| Spacegroup name | P 1 |
| Unit cell lengths | 31.832, 51.503, 80.186 |
| Unit cell angles | 87.33, 84.78, 89.39 |
Refinement procedure
| Resolution | 79.769 - 2.324 |
| Rwork | 0.241 |
| R-free | 0.28530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.253 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 79.770 | 2.340 |
| High resolution limit [Å] | 2.320 | 2.320 |
| Number of reflections | 35250 | 997 |
| <I/σ(I)> | 2.1 | |
| Completeness [%] | 90.2 | |
| Redundancy | 1.8 | |
| CC(1/2) | 1.000 | 0.300 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 100mM Tris pH8.5, 8% PEG10k protein 1:1.5 peptide |
