7ERO
Crystal structure of D-allulose 3-epimerase with D-allulose from Agrobacterium sp. SUL3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-1A |
Synchrotron site | Photon Factory |
Beamline | BL-1A |
Temperature [K] | 95 |
Detector technology | PIXEL |
Collection date | 2020-12-02 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.0800 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 66.173, 97.517, 159.922 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.760 - 2.120 |
R-factor | 0.1825 |
Rwork | 0.180 |
R-free | 0.22670 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7dz2 |
RMSD bond length | 0.007 |
RMSD bond angle | 0.877 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.760 | 2.180 |
High resolution limit [Å] | 2.120 | 2.120 |
Rmeas | 0.250 | |
Rpim | 0.096 | 0.559 |
Number of reflections | 59560 | 4561 |
<I/σ(I)> | 9 | 2 |
Completeness [%] | 100.0 | |
Redundancy | 6.7 | |
CC(1/2) | 0.993 | 0.693 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2M Magnesium chloride, 0.1M Tris pH=8.5, 30% PEG 4000 |