8HIU
Crystal structure of O-carbamoyltransferase VtdB and the compound VtdB with carbamoyladenylate from Streptomyces sp. NO1W98
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 18-ID |
| Synchrotron site | APS |
| Beamline | 18-ID |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2022-09-25 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.988 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 64.804, 216.678, 70.573 |
| Unit cell angles | 90.00, 113.39, 90.00 |
Refinement procedure
| Resolution | 31.049 - 2.990 |
| Rwork | 0.214 |
| R-free | 0.27360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | AlphaFold 2 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.050 |
| High resolution limit [Å] | 2.900 | 3.000 |
| Rpim | 0.045 | 0.164 |
| Number of reflections | 247145 | 35766 |
| <I/σ(I)> | 13.67 | |
| Completeness [%] | 99.7 | |
| Redundancy | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.6 | 285 | 30% w/v PEG 2000, 0.1 M MES pH 6.6 |
