5B23
X-ray Structure of Clostridium Perfringens Sortase B
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PHOTON FACTORY BEAMLINE BL-5A |
| Synchrotron site | Photon Factory |
| Beamline | BL-5A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-11-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 2 |
| Unit cell lengths | 83.200, 96.400, 58.640 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.200 - 2.200 |
| R-factor | 0.22656 |
| Rwork | 0.224 |
| R-free | 0.27495 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ux7 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.115 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.200 | 2.260 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.063 | 0.431 |
| Number of reflections | 24626 | |
| <I/σ(I)> | 19.29 | 4.66 |
| Completeness [%] | 99.8 | 99.9 |
| Redundancy | 7.1 | 6.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.8 | 293 | 0.2 M Sodium nitrate, 205 w/v polyethylene glycol 3350 |
