5EQ2
Crystal Structure of the SrpA Adhesin from Streptococcus sanguinis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-02-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.979 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 174.522, 46.769, 64.761 |
| Unit cell angles | 90.00, 102.72, 90.00 |
Refinement procedure
| Resolution | 42.560 - 1.800 |
| R-factor | 0.1765 |
| Rwork | 0.175 |
| R-free | 0.20730 |
| Structure solution method | SAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.906 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.800 |
| High resolution limit [Å] | 1.770 | 4.800 | 1.770 |
| Rmerge | 0.164 | 0.075 | |
| Rmeas | 0.176 | 0.081 | |
| Rpim | 0.071 | 0.030 | 0.534 |
| Total number of observations | 362946 | ||
| Number of reflections | 49646 | ||
| <I/σ(I)> | 9.5 | ||
| Completeness [%] | 99.6 | 99 | 98 |
| Redundancy | 7.3 | 7.2 | 5.6 |
| CC(1/2) | 0.994 | 0.640 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 100 mM Na cacodylate, 0.2 M Ca(CH3CO2)2, 18% PEG 8000. Fully formed crystals were soaked in 2 mM K2OsO4, 5% DMSO overnight |
| 2 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 100 mM Na cacodylate, 0.2 M Ca(CH3CO2)2, 18% PEG 8000. Fully formed crystals were soaked in 2 mM K2OsO4, 5% DMSO overnight |
