8SY9
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, UDP-N-acetylglucosamine and UDP at pH 7
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-01-25 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.538, 128.410, 58.490 |
| Unit cell angles | 90.00, 112.61, 90.00 |
Refinement procedure
| Resolution | 38.350 - 2.200 |
| R-factor | 0.19544 |
| Rwork | 0.192 |
| R-free | 0.25925 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.519 |
| 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 | 2.300 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Number of reflections | 38323 | 4569 |
| <I/σ(I)> | 12.8 | 2.4 |
| Completeness [%] | 98.1 | 94.4 |
| Redundancy | 7.4 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | Protein incubated with 5 mM UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid. Precipitant used was 22-27% pentaerythritol propoxylate (5/4 PO/OH), 100 mM MOPS (pH7) |
