7CJ9
Crystal structure of N-terminal His-tagged D-allulose 3-epimerase from Methylomonas sp. with additional C-terminal residues
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE BL-5A |
Synchrotron site | Photon Factory |
Beamline | BL-5A |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-17 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 |
Unit cell lengths | 80.430, 92.770, 93.780 |
Unit cell angles | 87.67, 98.64, 115.60 |
Refinement procedure
Resolution | 45.710 - 1.580 |
R-factor | 0.1792 |
Rwork | 0.177 |
R-free | 0.22690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5zfs |
RMSD bond length | 0.005 |
RMSD bond angle | 1.252 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 45.710 | 45.710 | 1.620 |
High resolution limit [Å] | 1.580 | 7.070 | 1.580 |
Rmerge | 0.034 | 0.010 | 0.457 |
Rmeas | 0.041 | 0.012 | 0.538 |
Total number of observations | 1081104 | ||
Number of reflections | 311350 | 3643 | 23169 |
<I/σ(I)> | 22.43 | 81.33 | 2.82 |
Completeness [%] | 94.0 | 98.3 | 94.7 |
Redundancy | 3.472 | 3.759 | 3.63 |
CC(1/2) | 0.999 | 1.000 | 0.830 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | Ethylene glycol, HEPES, PEG8000 |