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 |