9UBF
X-ray structure of Clostridioides difficile autolysin Acd33800 catalytic domain
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 | PIXEL |
| Collection date | 2024-03-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | H 3 |
| Unit cell lengths | 105.260, 105.260, 63.100 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 30.390 - 1.450 |
| R-factor | 0.1635 |
| Rwork | 0.163 |
| R-free | 0.18510 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.115 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.950 | 1.490 |
| High resolution limit [Å] | 1.450 | 1.450 |
| Rmerge | 0.023 | 0.154 |
| Number of reflections | 44783 | 3110 |
| <I/σ(I)> | 38.27 | |
| Completeness [%] | 96.8 | |
| Redundancy | 5.2 | |
| CC(1/2) | 1.000 | 0.982 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293.15 | 0.1 M Sodium Acetate HCl 3.5 M Sodium Formate |
