3TB7
The type I crystal structure of Streptococcus agalactiae sortase C1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-BM |
| Synchrotron site | APS |
| Beamline | 22-BM |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9748 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 78.590, 46.930, 66.570 |
| Unit cell angles | 90.00, 114.99, 90.00 |
Refinement procedure
| Resolution | 27.150 - 2.450 |
| R-factor | 0.23173 |
| Rwork | 0.228 |
| R-free | 0.30777 |
| Structure solution method | SAD |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.134 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SOLVE |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 60.340 | 2.500 |
| High resolution limit [Å] | 2.450 | 2.450 |
| Rmerge | 0.040 | 0.125 |
| Number of reflections | 8218 | |
| <I/σ(I)> | 33.5 | 13.1 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.2 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.4 | 277 | 20% PEG3350, 0.2 M Tris, 0.2 M ammonium acetate, pH 8.4, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
