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 |