8P6O
Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant Y220F in complex with di-mannuronic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-03-19 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.9762 |
Spacegroup name | P 1 |
Unit cell lengths | 33.920, 39.880, 42.550 |
Unit cell angles | 73.92, 77.08, 69.85 |
Refinement procedure
Resolution | 40.470 - 1.050 |
R-factor | 0.1167 |
Rwork | 0.116 |
R-free | 0.13950 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.065 |
Data reduction software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.470 | 1.110 |
High resolution limit [Å] | 1.050 | 1.050 |
Number of reflections | 84336 | 12463 |
<I/σ(I)> | 5.84 | |
Completeness [%] | 90.6 | |
Redundancy | 3.12 | |
CC(1/2) | 0.990 | 0.830 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 293 | 2 M Ammonium sulfate; 0.1 Sodium acetate pH 4.6 |