3RCC
Crystal Structure of the Streptococcus agalactiae Sortase A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 24-ID-C |
| Synchrotron site | APS |
| Beamline | 24-ID-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-11-01 |
| Detector | ADSC QUANTUM 315 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 237.674, 167.759, 97.536 |
| Unit cell angles | 90.00, 93.55, 90.00 |
Refinement procedure
| Resolution | 39.230 - 3.100 |
| R-factor | 0.23507 |
| Rwork | 0.232 |
| R-free | 0.29907 |
| Structure solution method | MR-SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.585 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.000 | 3.200 |
| High resolution limit [Å] | 3.100 | 3.100 |
| Rmerge | 0.110 | 0.841 |
| Number of reflections | 68853 | |
| <I/σ(I)> | 16.4 | 1.85 |
| Completeness [%] | 99.7 | 99.6 |
| Redundancy | 4.2 | 4.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 295 | 8% PEG8000, 0.1 M imidazole, 0.2 M zinc sulfate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
