8RR2
3-keto-glycoside eliminase/hydratase in komplex with alpha-3-keto-glucose
This is a non-PDB format compatible entry.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PETRA III, DESY BEAMLINE P11 |
Synchrotron site | PETRA III, DESY |
Beamline | P11 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-06-30 |
Detector | DECTRIS EIGER2 X 16M |
Wavelength(s) | 1.03323 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 76.270, 79.880, 103.820 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.710 - 1.740 |
R-factor | 0.1674 |
Rwork | 0.167 |
R-free | 0.19720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold2 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.108 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.710 | 1.844 |
High resolution limit [Å] | 1.740 | 1.780 |
Rmerge | 0.206 | |
Rmeas | 0.285 | |
Rpim | 0.077 | |
Number of reflections | 65902 | 83345 |
<I/σ(I)> | 8.03 | 0.62 |
Completeness [%] | 99.8 | 99.75 |
Redundancy | 13.5 | |
CC(1/2) | 0.997 | 0.416 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M HEPES, pH 7.5 35% pentaerythritol ethoxylate, 6% polyvinlypirolidone Soaking for 90 minutes with 20 mM 3-keto-sucrose |