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 |