4MER
Crystal structure of the novel protein and virulence factor sHIP (Q99XU0) from Streptococcus pyogenes
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-03-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.547, 111.222, 51.136 |
| Unit cell angles | 90.00, 108.02, 90.00 |
Refinement procedure
| Resolution | 48.630 - 2.410 |
| R-factor | 0.23077 |
| Rwork | 0.229 |
| R-free | 0.26917 |
| Structure solution method | SIRAS |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.654 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | autoSHARP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.500 |
| High resolution limit [Å] | 2.410 | 2.410 |
| Number of reflections | 20249 | |
| Completeness [%] | 98.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 20% PEG3350, 0.2 M sodium malonate, 0.1 M Bis-Tris propane, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 291K |
