8QLI
Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant H124 soaked with with tetra-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 | 2020-09-06 |
Detector | DECTRIS EIGER2 X 9M |
Wavelength(s) | 0.976 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 77.540, 38.770, 75.170 |
Unit cell angles | 90.00, 116.91, 90.00 |
Refinement procedure
Resolution | 38.670 - 1.120 |
R-factor | 0.1445 |
Rwork | 0.144 |
R-free | 0.16780 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.079 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | PHASER |
Refinement software | PHENIX (dev_4788) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.670 | 1.150 |
High resolution limit [Å] | 1.120 | 1.120 |
Number of reflections | 75488 | 4449 |
<I/σ(I)> | 12.98 | |
Completeness [%] | 98.3 | |
Redundancy | 5.4 | |
CC(1/2) | 0.780 | 0.700 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 30% PEG3350, 0.1M Bis-Tris pH 5.5, 0.2M NaCl |