5YFK
X-ray structure of a mutant form C232S 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 | 2017-05-05 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 74.670, 59.730, 56.220 |
| Unit cell angles | 90.00, 121.39, 90.00 |
Refinement procedure
| Resolution | 47.990 - 1.800 |
| R-factor | 0.18439 |
| Rwork | 0.182 |
| R-free | 0.22788 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b23 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.020 |
| 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] | 47.990 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.039 | 0.448 |
| Number of reflections | 19621 | 5384 |
| <I/σ(I)> | 20.6 | 3.2 |
| Completeness [%] | 99.7 | 99.8 |
| Redundancy | 3.7 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 200mM ammonium phosphate monobasic, 20% (w/v) PEG 3350 |
