3G69
The crystal structure of Streptococcus pneumoniae Sortase C provides novel insights into catalysis as well as pilin substrate specificity
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-09-21 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 0.934 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.578, 96.554, 98.818 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.600 - 2.000 |
| R-factor | 0.19568 |
| Rwork | 0.192 |
| R-free | 0.25812 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3g66 |
| RMSD bond length | 0.023 |
| RMSD bond angle | 2.132 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.390 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.011 | 0.305 |
| Number of reflections | 31946 | |
| <I/σ(I)> | 16.1 | 6.3 |
| Completeness [%] | 99.2 | 97.2 |
| Redundancy | 7.2 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 277 | 0.1 M MES pH 7.0 and 1.9 M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
