8SYE
X-ray crystal structure of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase from Thermus thermophilus strain HB27, D98N variant in the presence of UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid and UDP at pH 6
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-03-04 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.717, 128.061, 58.364 |
| Unit cell angles | 90.00, 112.61, 90.00 |
Refinement procedure
| Resolution | 41.230 - 1.900 |
| R-factor | 0.20025 |
| Rwork | 0.199 |
| R-free | 0.23199 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.534 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 58879 | 7452 |
| <I/σ(I)> | 11.1 | 2.4 |
| Completeness [%] | 97.5 | 86.8 |
| Redundancy | 6.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | protein incubated with 5 mM UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid and 5 mM UDP. Precipitant used was 22-27% pentaerythritol propoxylate (5/4 PO/OH), 100 mM MES (pH 6) |
