9GN3
The 3D structure of MsrR from Streptococcus pneumoniae
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | MAX IV BEAMLINE BioMAX |
| Synchrotron site | MAX IV |
| Beamline | BioMAX |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-04-24 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.976323 |
| Spacegroup name | P 3 2 1 |
| Unit cell lengths | 130.631, 130.631, 100.582 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 46.000 - 2.150 |
| R-factor | 0.20659 |
| Rwork | 0.204 |
| R-free | 0.25905 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.481 |
| Data reduction software | XDS |
| Data scaling software | STARANISO |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.000 | 2.304 |
| High resolution limit [Å] | 2.150 | 2.150 |
| Rmerge | 0.114 | 1.099 |
| Rmeas | 0.120 | 1.202 |
| Rpim | 0.038 | 0.482 |
| Number of reflections | 34775 | 1738 |
| <I/σ(I)> | 13.7 | 1.7 |
| Completeness [%] | 64.2 | 17.3 |
| Redundancy | 9.9 | 6.2 |
| CC(1/2) | 0.999 | 0.595 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 293 | 25mM NaPhosphate pH 6.8 100mM NaCl |
