3G66
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 | 48.911, 96.857, 98.866 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 32.290 - 1.700 |
| R-factor | 0.18958 |
| Rwork | 0.187 |
| R-free | 0.23527 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2w1j |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.736 |
| 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] | 42.020 | 1.790 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.093 | 0.517 |
| Number of reflections | 52404 | |
| <I/σ(I)> | 14.6 | 3.4 |
| Completeness [%] | 99.8 | 99.2 |
| Redundancy | 6.7 | 6.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 1.6 M magnesium sulfate, 0.1 M MES pH 6.5., VAPOR DIFFUSION, SITTING DROP, temperature 293K |
