7XB6
Crystal structure of the O-carbamoyltransferase VtdB in complex with carbamoyl adenylate intermediate
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2021-07-04 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.979 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.391, 245.567, 96.946 |
| Unit cell angles | 90.00, 92.04, 90.00 |
Refinement procedure
| Resolution | 48.189 - 2.901 |
| Rwork | 0.187 |
| R-free | 0.26880 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold 2 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.190 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.149 | 0.533 |
| Number of reflections | 372765 | 3578 |
| <I/σ(I)> | 7.77 | |
| Completeness [%] | 98.2 | 99.4 |
| Redundancy | 6.8 | 6.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 285 | 27% w/v PEG 4000, 0.1 M HEPES pH 7.0, 0.2 M sodium chloride |
