8SXW
X-ray crystal structure of UDP- 2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase from Thermus thermophilus strain HB27, D98N mutation, apo structure 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 | 2023-03-09 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 |
| Unit cell lengths | 64.327, 85.340, 86.535 |
| Unit cell angles | 108.23, 110.06, 97.10 |
Refinement procedure
| Resolution | 41.720 - 1.800 |
| R-factor | 0.18084 |
| Rwork | 0.178 |
| R-free | 0.22449 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.420 |
| Data reduction software | SAINT |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0403) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 139158 | 19632 |
| <I/σ(I)> | 16.5 | 2.7 |
| Completeness [%] | 96.1 | 89.3 |
| Redundancy | 4.6 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 293 | 18-22% pentaerythritol propoxylate (5/4 PO/OH), 100 mM MES (pH 6) |
