3RBI
The Type III Crystal Structure of Streptococcus agalactiae Sortase C1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 22-ID |
| Synchrotron site | APS |
| Beamline | 22-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-07-11 |
| Detector | MARMOSAIC 300 mm CCD |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 70.920, 70.920, 195.660 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 65.220 - 3.000 |
| R-factor | 0.21572 |
| Rwork | 0.212 |
| R-free | 0.30118 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.721 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | CNS |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.220 | 3.110 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.088 | 0.248 |
| Number of reflections | 12026 | |
| <I/σ(I)> | 11.3 | 4.8 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.7 | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 277 | 1.6 M ammonium sulfate, 100 mM calcium chloride, 100 mM sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
