8SYD
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-N-acetylglucosamine 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 | 2023-02-24 |
Detector | Bruker PHOTON II |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 56.272, 128.436, 58.135 |
Unit cell angles | 90.00, 114.06, 90.00 |
Refinement procedure
Resolution | 40.120 - 2.200 |
R-factor | 0.17517 |
Rwork | 0.172 |
R-free | 0.22914 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.595 |
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 | 38022 | 4649 |
<I/σ(I)> | 12.8 | 3.2 |
Completeness [%] | 99.5 | 97.9 |
Redundancy | 7.9 | 3.7 |
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-N-acetylglucosamine. Precipitant used was 22-27% pentaerythritol ethoxylate (3/4 EO/OH), 100 mM MES (pH 6) |