8JT4
Substrate -binding mode guided protein design of alginate lyase FlAlyA for altered end-product distribution
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 | 71.998, 71.998, 52.416 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 31.180 - 1.450 |
Rwork | 0.160 |
R-free | 0.19270 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 0.844 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | BUCCANEER |
Refinement software | PHENIX (1.16) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 31.180 | 1.502 |
High resolution limit [Å] | 1.450 | 1.450 |
Rmerge | 0.061 | 0.254 |
Number of reflections | 53504 | 5184 |
<I/σ(I)> | 15.61 | |
Completeness [%] | 99.2 | |
Redundancy | 8.8 | |
CC(1/2) | 0.999 | 0.901 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 293 | DL-Malic acid |