8JAZ
Structure of the alginate epimerase/lyase complexed with di-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 | P 1 21 1 |
| Unit cell lengths | 60.330, 40.030, 188.290 |
| Unit cell angles | 90.00, 91.45, 90.00 |
Refinement procedure
| Resolution | 47.060 - 1.820 |
| R-factor | 0.2242 |
| Rwork | 0.217 |
| R-free | 0.24360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.609 |
| 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] | 47.060 | 1.885 |
| High resolution limit [Å] | 1.820 | 1.820 |
| Rmerge | 0.187 | 0.387 |
| Rmeas | 0.199 | 0.428 |
| Rpim | 0.065 | 0.176 |
| Number of reflections | 80215 | 7256 |
| <I/σ(I)> | 8.41 | 2.29 |
| Completeness [%] | 98.3 | 90.32 |
| Redundancy | 8 | 4.9 |
| CC(1/2) | 0.986 | 0.780 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.15-0.25M calcium chloride, 16-22% w/v PEG 3350 |
