8BJO
Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant Y220F in complex with hexa-mannuronic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX IV BEAMLINE BioMAX |
Synchrotron site | MAX IV |
Beamline | BioMAX |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-05-02 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.774900 |
Spacegroup name | P 1 |
Unit cell lengths | 33.930, 39.880, 42.580 |
Unit cell angles | 74.12, 77.93, 69.78 |
Refinement procedure
Resolution | 19.050 - 1.510 |
R-factor | 0.1707 |
Rwork | 0.169 |
R-free | 0.19880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6ywf |
RMSD bond length | 0.008 |
RMSD bond angle | 1.119 |
Data reduction software | xia2 |
Phasing software | PHASER |
Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.050 | 1.560 |
High resolution limit [Å] | 1.510 | 1.510 |
Number of reflections | 28650 | 2660 |
<I/σ(I)> | 8.35 | |
Completeness [%] | 91.1 | |
Redundancy | 3.8 | |
CC(1/2) | 1.000 | 0.860 |
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 |