8JA6
Structure of the alginate epimerase/lyase complexed with tri-mannuronic acid
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL45XU |
| Synchrotron site | SPring-8 |
| Beamline | BL45XU |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-07-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | H 3 |
| Unit cell lengths | 121.710, 121.710, 120.690 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.300 - 2.000 |
| R-factor | 0.1555 |
| Rwork | 0.154 |
| R-free | 0.17760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.925 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.300 | 2.072 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.098 | 1.524 |
| Rmeas | 0.100 | 1.560 |
| Rpim | 0.021 | 0.329 |
| Number of reflections | 45050 | 4519 |
| <I/σ(I)> | 18.02 | 1.79 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 21.9 | 22.2 |
| CC(1/2) | 0.999 | 0.859 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M sodium acetate, pH4.5-pH4.9, 24-30% w/v PEG 4000, 15% v/v glycerol |
