7DZ5
Crystal structures of D-allulose 3-epimerase with D-sorbose from Sinorhizobium fredii
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 | 2020-11-30 |
Detector | DECTRIS EIGER X 4M |
Wavelength(s) | 1.0000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.143, 87.934, 128.928 |
Unit cell angles | 90.00, 99.58, 90.00 |
Refinement procedure
Resolution | 42.610 - 1.700 |
R-factor | 0.1543 |
Rwork | 0.153 |
R-free | 0.17800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5zfs |
RMSD bond length | 0.009 |
RMSD bond angle | 1.059 |
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] | 43.970 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Rmeas | 0.089 | 0.671 |
Rpim | 0.047 | 0.346 |
Number of reflections | 150697 | |
<I/σ(I)> | 0.089 | 1.9 |
Completeness [%] | 98.9 | 99.1 |
Redundancy | 3.5 | |
CC(1/2) | 0.997 | 0.756 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Lithium sulfate monohydrate, 0.1 M BIS-TRIS pH 6.5, 25% w/v PEG 3,350 |