8SXV
X-ray crystal structure of UDP- 2,3-diacetamido-2,3-dideoxy-glucuronic acid-2-epimerase from Thermus thermophilus strain HB27, apo form, pH 9
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SEALED TUBE |
| Source details | BRUKER D8 QUEST |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-12-28 |
| Detector | Bruker PHOTON II |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.675, 88.926, 87.567 |
| Unit cell angles | 90.00, 98.79, 90.00 |
Refinement procedure
| Resolution | 46.070 - 2.300 |
| R-factor | 0.2015 |
| Rwork | 0.198 |
| R-free | 0.25908 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.506 |
| 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 | 2.400 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 41084 | 4732 |
| <I/σ(I)> | 13 | |
| Completeness [%] | 98.7 | 96.2 |
| Redundancy | 8.6 | 4.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | 8-12% poly(ethylene glycol) 8000, 1 M NMe4Cl, 100 mM CHES (pH9) |
