7NM6
Crystal structure of Paradendryphiella salina PL7A alginate lyase mutant Y223F in complex with di-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 | 2020-02-20 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.972425 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 35.280, 80.720, 81.660 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.830 - 1.780 |
R-factor | 0.1616 |
Rwork | 0.160 |
R-free | 0.19820 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7ncz |
RMSD bond length | 0.009 |
RMSD bond angle | 1.011 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHENIX (1.18.2_3874) |
Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.830 | 1.890 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.730 | |
Number of reflections | 22593 | 3133 |
<I/σ(I)> | 11.49 | |
Completeness [%] | 97.4 | |
Redundancy | 6.81 | |
CC(1/2) | 1.000 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4 | 293 | 20% PEG 1500 and 0.1 M TBG buffer pH 4 |