8V31
Structure of Alistipes sp. 3-Keto-2-hydroxy-glucal-hydratase AL2
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2023-07-19 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.18085 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 95.088, 95.088, 159.542 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 47.540 - 2.650 |
Rwork | 0.197 |
R-free | 0.24410 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.015 |
RMSD bond angle | 2.654 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0425) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.540 | 47.540 | 2.780 |
High resolution limit [Å] | 2.650 | 8.790 | 2.650 |
Rmerge | 0.142 | 0.024 | 2.057 |
Rmeas | 0.150 | 0.025 | 2.176 |
Rpim | 0.047 | 0.008 | 0.704 |
Number of reflections | 24911 | 24911 | 3236 |
<I/σ(I)> | 22.9 | ||
Completeness [%] | 99.9 | ||
Redundancy | 18.9 | 16.8 | 18.5 |
CC(1/2) | 0.999 | 1.000 | 0.868 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | 0.2 M Magnesium Chloride, 25% PEG 3350, 0.1 M Bis-Tris methane pH 5.5 |