7CJ7
Crystal structure of homo dimeric D-allulose 3-epimerase from Methylomonas sp. in complex with L-tagatose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-17A |
Synchrotron site | Photon Factory |
Beamline | BL-17A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-03-25 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.98 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 46.056, 81.777, 140.033 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.250 - 1.695 |
R-factor | 0.1501 |
Rwork | 0.148 |
R-free | 0.19000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5zfs |
RMSD bond length | 0.005 |
RMSD bond angle | 1.209 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.730 |
High resolution limit [Å] | 1.690 | 4.610 | 1.700 |
Rmerge | 0.114 | 0.045 | 0.635 |
Rmeas | 0.126 | 0.051 | 0.691 |
Rpim | 0.052 | 0.022 | 0.269 |
Number of reflections | 58671 | 3176 | 2875 |
<I/σ(I)> | 7 | ||
Completeness [%] | 98.6 | 98.3 | 98.4 |
Redundancy | 5.6 | 5.1 | 6.1 |
CC(1/2) | 0.997 | 0.851 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | PEG3350, Tris, magnesium chloride |