8SYA
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 9
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SEALED TUBE |
Source details | BRUKER D8 QUEST |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-03-20 |
Detector | Bruker PHOTON II |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.088, 129.986, 58.613 |
Unit cell angles | 90.00, 112.61, 90.00 |
Refinement procedure
Resolution | 44.790 - 2.300 |
R-factor | 0.20395 |
Rwork | 0.202 |
R-free | 0.24327 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.007 |
RMSD bond angle | 1.490 |
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 | 2.400 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 34302 | 4050 |
<I/σ(I)> | 9.7 | |
Completeness [%] | 99.6 | 98.8 |
Redundancy | 8.5 | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 9 | 293 | Protein incubated with 5 mM UDP-2,3-diacetamido-2,3-dideoxy-glucuronic acid. Precipitant used was 18-22% poly(ethylene glycol) 8000, 100 mM CHES (pH 9) |