8JSD
Alginate lyase mutant-D180G
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-07 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.979183 |
| Spacegroup name | P 31 |
| Unit cell lengths | 72.120, 72.120, 52.060 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 31.230 - 1.414 |
| Rwork | 0.141 |
| R-free | 0.16760 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.036 |
| Data reduction software | autoPROC |
| Data scaling software | autoXDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 31.230 | 1.465 |
| High resolution limit [Å] | 1.414 | 1.414 |
| Rmerge | 0.047 | 0.432 |
| Rmeas | 0.050 | 0.486 |
| Rpim | 0.016 | 0.214 |
| Number of reflections | 55650 | 5177 |
| <I/σ(I)> | 22.74 | |
| Completeness [%] | 96.1 | 89.86 |
| Redundancy | 8.9 | 4.8 |
| CC(1/2) | 0.999 | 0.914 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | DL-Malic acid |
