8XFR
Structure of the alginate epimerase/lyase complexed with tetra-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] | 80 |
| Detector technology | PIXEL |
| Collection date | 2023-10-27 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | H 3 |
| Unit cell lengths | 121.584, 121.584, 117.617 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.050 - 2.000 |
| R-factor | 0.1635 |
| Rwork | 0.162 |
| R-free | 0.18650 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.037 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHENIX (1.19.2_4158) |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.050 | 2.140 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.096 | 1.926 |
| Number of reflections | 43816 | 8053 |
| <I/σ(I)> | 20.97 | 1.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 24.1 | 24.4 |
| CC(1/2) | 1.000 | 0.858 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M sodium acetate, pH4.5, 30% w/v PEG 4000, 15% v/v glycerol |
