3PSQ
Crystal structure of Spy0129, a Streptococcus pyogenes class B sortase involved in pilus biogenesis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-1 |
| Synchrotron site | SSRL |
| Beamline | BL9-1 |
| Temperature [K] | 200 |
| Detector technology | CCD |
| Collection date | 2006-03-01 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97977 |
| Spacegroup name | I 41 2 2 |
| Unit cell lengths | 94.511, 94.511, 253.519 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.320 |
| R-factor | 0.20683 |
| Rwork | 0.204 |
| R-free | 0.26248 |
| Structure solution method | SAD |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.523 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | SHARP |
| Refinement software | REFMAC (5.4.0067) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.400 |
| High resolution limit [Å] | 2.320 | 2.320 |
| Rmerge | 0.065 | 0.674 |
| Number of reflections | 25357 | |
| <I/σ(I)> | 4 | |
| Completeness [%] | 99.8 | 100 |
| Redundancy | 10 | 10.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 291 | 10% PEG 3350, 0.2M zinc acetate, 0.1M sodium acetate, pH 6.2, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
